[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[(4-chlorophenyl)carbonylamino]benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[(4-chlorophenyl)carbonylamino]benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate Traditional Name: 2-[(4-chlorobenzoyl)amino]benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O4/c1-3-12-22-18(24)13(2)27-20(26)16-6-4-5-7-17(16)23-19(25)14-8-10-15(21)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,22,24)(H,23,25)/t13-/m0/s1