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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21F2NO3
Molecular Weight 325.3503
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-Methyl 3-(4,4-Difluorocyclohexanecarboxamido)-3-Phenylpropanoate

SMILES

COC(=O)C[C@H](NC(=O)C1CCC(F)(F)CC1)C2=CC=CC=C2

InChI

InChIKey=SFAUOZPRUQNOOT-AWEZNQCLSA-N
InChI=1S/C17H21F2NO3/c1-23-15(21)11-14(12-5-3-2-4-6-12)20-16(22)13-7-9-17(18,19)10-8-13/h2-6,13-14H,7-11H2,1H3,(H,20,22)/t14-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(S)-Methyl 3-(4,4-Difluorocyclohexanecarboxamido)-3-Phenylpropanoate
Systematic Name English
Methyl (βS)-β-[[(4,4-difluorocyclohexyl)carbonyl]amino]benzenepropanoate
Systematic Name English
Benzenepropanoic acid, β-[[(4,4-difluorocyclohexyl)carbonyl]amino]-, methyl ester, (βS)-
Systematic Name English
Code System Code Type Description
CAS
948592-19-6
Created by admin on Sat Dec 16 19:52:13 GMT 2023 , Edited by admin on Sat Dec 16 19:52:13 GMT 2023
PRIMARY
FDA UNII
YJ7JTB9W3J
Created by admin on Sat Dec 16 19:52:13 GMT 2023 , Edited by admin on Sat Dec 16 19:52:13 GMT 2023
PRIMARY
PUBCHEM
117670958
Created by admin on Sat Dec 16 19:52:13 GMT 2023 , Edited by admin on Sat Dec 16 19:52:13 GMT 2023
PRIMARY
NIH
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