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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(phenylcarbonyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4/c1-3-13-21-19(23)14(2)25-20(24)17-11-9-16(10-12-17)18(22)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,21,23)/t14-/m0/s1