[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4/c23-16-22(11-5-2-6-12-22)25-19(27)15-30-20(28)17-9-13-26(14-10-17)21(29)24-18-7-3-1-4-8-18/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,24,29)(H,25,27)