(3R)-7-[[4-Cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydroc...
C26H26F3NO3
1206123-37-6 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 37 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 18.1875 6.1312 0.0 0
M  V30 2 C 19.5945 5.5047 0.0 0
M  V30 3 O 20.8404 6.4099 0.0 0
M  V30 4 O 19.7554 3.9731 0.0 0
M  V30 5 O 9.1059 4.1618 0.0 0
M  V30 6 C 7.7722 4.9318 0.0 0
M  V30 7 C 2.4374 4.9318 0.0 0
M  V30 8 F 3.2074 6.2655 0.0 0
M  V30 9 F 1.1037 5.7018 0.0 0
M  V30 10 F 1.6674 3.5981 0.0 0
M  V30 11 C 14.5718 4.4559 0.0 0
M  V30 12 C 15.4769 5.7018 0.0 0
M  V30 13 C 13.1071 4.9318 0.0 0
M  V30 14 C 15.4769 3.2100 0.0 0
M  V30 15 C 16.9416 5.2260 0.0 0 CFG=1
M  V30 16 N 14.5718 6.9477 0.0 0
M  V30 17 C 13.1071 6.4718 0.0 0
M  V30 18 C 11.7734 4.1618 0.0 0
M  V30 19 C 16.9416 3.6859 0.0 0
M  V30 20 C 11.7734 7.2419 0.0 0
M  V30 21 C 10.4396 4.9318 0.0 0
M  V30 22 C 10.4397 6.4718 0.0 0
M  V30 23 C 6.4386 4.1618 0.0 0
M  V30 24 C 5.1047 4.9318 0.0 0
M  V30 25 C 6.4386 2.6218 0.0 0
M  V30 26 C 3.7711 4.1618 0.0 0
M  V30 27 C 5.1047 1.8517 0.0 0
M  V30 28 C 3.7711 2.6218 0.0 0
M  V30 29 C 2.4374 1.8517 0.0 0
M  V30 30 C 2.2765 0.3202 0.0 0
M  V30 31 C 1.0306 2.4782 0.0 0
M  V30 32 C 0.7700 0.0000 0.0 0
M  V30 33 C 0.0000 1.3337 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 15 1 CFG=1
M  V30 3 1 2 3
M  V30 4 2 2 4
M  V30 5 1 5 6
M  V30 6 1 5 21
M  V30 7 1 6 23
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 7 10
M  V30 11 1 7 26
M  V30 12 2 11 12
M  V30 13 1 11 13
M  V30 14 1 11 14
M  V30 15 1 12 15
M  V30 16 1 12 16
M  V30 17 1 13 17
M  V30 18 2 13 18
M  V30 19 1 14 19
M  V30 20 1 15 19
M  V30 21 1 16 17
M  V30 22 2 17 20
M  V30 23 1 18 21
M  V30 24 1 20 22
M  V30 25 2 21 22
M  V30 26 2 23 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 2 25 27
M  V30 30 2 26 28
M  V30 31 1 27 28
M  V30 32 1 28 29
M  V30 33 1 29 30
M  V30 34 1 29 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 1 32 33
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1206123-37-6

> <cas.index.name>
Cyclopent[b]indole-3-acetic acid, 7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydro-, (3R)-

> <molecular.formula>
C26H26F3NO3

> <molecular.weight>
457.49

> <boiling.point.predicted>
621.4±50.0 °C    Press: 760 Torr

> <density.predicted>
1.326±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.61±0.10    Most Acidic Temp: 25 °C

$$$$
