[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-14(18(25)23-17-7-5-15(13-22)6-8-17)28-19(26)16-9-11-24(12-10-16)20(27)21(2,3)4/h5-8,14,16H,9-12H2,1-4H3,(H,23,25)/t14-/m0/s1