[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H30N4O5/c1-15(2)8-11-22-20(28)24-18(26)14-30-19(27)16-9-12-25(13-10-16)21(29)23-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,23,29)(H2,22,24,26,28)