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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H17ClF3NO3
Molecular Weight 423.813
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-CHLORO-2-(4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-2-YL)PHENYL)-4-METHOXYBENZAMIDE, (S)-

SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=C(Cl)C=C2[C@@](O)(C#CC3CC3)C(F)(F)F

InChI

InChIKey=QVQIJMIAFKHTFS-FQEVSTJZSA-N
InChI=1S/C21H17ClF3NO3/c1-29-16-7-4-14(5-8-16)19(27)26-18-9-6-15(22)12-17(18)20(28,21(23,24)25)11-10-13-2-3-13/h4-9,12-13,28H,2-3H2,1H3,(H,26,27)/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H17ClF3NO3
Molecular Weight 423.813
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 13:43:13 UTC 2019
Edited
by admin
on Tue Oct 22 13:43:13 UTC 2019
Record UNII
0P9NIW1O2Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-CHLORO-2-(4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-2-YL)PHENYL)-4-METHOXYBENZAMIDE, (S)-
Systematic Name English
EFAVIRENZ 4-METHOXYBENZOYLAMINOALCOHOL
Common Name English
EFAVIRENZ BENZOYLAMINOALCOHOL [USP]
Common Name English
BENZAMIDE, N-(4-CHLORO-2-((1S)-3-CYCLOPROPYL-1-HYDROXY-1-(TRIFLUOROMETHYL)-2-PROPYN-1-YL)PHENYL)-4-METHOXY-
Systematic Name English
(S)-N-(4-CHLORO-2-(4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-2-YL)PHENYL)-4-METHOXYBENZAMIDE
Systematic Name English
Code System Code Type Description
CAS
353270-77-6
Created by admin on Tue Oct 22 13:43:13 UTC 2019 , Edited by admin on Tue Oct 22 13:43:13 UTC 2019
PRIMARY
PUBCHEM
29975805
Created by admin on Tue Oct 22 13:43:13 UTC 2019 , Edited by admin on Tue Oct 22 13:43:13 UTC 2019
PRIMARY
EPA CompTox
353270-77-6
Created by admin on Tue Oct 22 13:43:13 UTC 2019 , Edited by admin on Tue Oct 22 13:43:13 UTC 2019
PRIMARY
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