[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-aminocarbonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-aminocarbonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 1-carbamoylpiperidine-4-carboxylate CAS Name: 1-carbamoyl-4-piperidinecarboxylic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 1-carbamoylpiperidine-4-carboxylate Traditional Name: 1-carbamoylisonipecotic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2CCN(CC2)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2CCN(CC2)C(=O)N

InChI

InChI=1S/C17H20N4O4/c1-11(15(22)20-14-4-2-3-12(9-14)10-18)25-16(23)13-5-7-21(8-6-13)17(19)24/h2-4,9,11,13H,5-8H2,1H3,(H2,19,24)(H,20,22)/t11-/m0/s1