[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H27ClN2O4/c1-3-17(4-2)22-18(24)13-27-20(26)15-9-11-23(12-10-15)19(25)14-5-7-16(21)8-6-14/h5-8,15,17H,3-4,9-13H2,1-2H3,(H,22,24)