[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(acetamidomethyl)benzoate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(acetamidomethyl)benzoate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H22N2O4/c1-14(24)22-13-15-7-9-17(10-8-15)21(26)27-19(16-5-3-2-4-6-16)20(25)23-18-11-12-18/h2-10,18-19H,11-13H2,1H3,(H,22,24)(H,23,25)/t19-/m0/s1