[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C21H22ClNO4/c1-13-4-5-17(12-14(13)2)20(25)15(3)27-19(24)10-11-23-21(26)16-6-8-18(22)9-7-16/h4-9,12,15H,10-11H2,1-3H3,(H,23,26)/t15-/m0/s1