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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H22ClNO4/c1-3-15-4-6-16(7-5-15)20(25)14(2)27-19(24)12-13-23-21(26)17-8-10-18(22)11-9-17/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)/t14-/m0/s1