[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H27N3O4/c1-3-11-20-17(23)14(2)26-18(24)15-9-12-22(13-10-15)19(25)21-16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,20,23)(H,21,25)/t14-/m0/s1