[2-(hexylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H29ClN2O4/c1-2-3-4-5-12-23-19(25)15-28-21(27)17-10-13-24(14-11-17)20(26)16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,25)