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

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4/c1-2-3-7-19-10-12-20(13-11-19)23(28)18-31-24(29)21-14-16-27(17-15-21)25(30)26-22-8-5-4-6-9-22/h4-6,8-13,21H,2-3,7,14-18H2,1H3,(H,26,30)