[2-(butylamino)-2-oxidanylidene-ethyl] 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-(m-tolylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[(3-methylanilino)-oxomethyl]-4-piperidinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylate Traditional Name: 1-(m-tolylcarbamoyl)isonipecotic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C20H29N3O4/c1-3-4-10-21-18(24)14-27-19(25)16-8-11-23(12-9-16)20(26)22-17-7-5-6-15(2)13-17/h5-7,13,16H,3-4,8-12,14H2,1-2H3,(H,21,24)(H,22,26)