[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C23H33ClN2O4 MolecularWeight: 436.97212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33ClN2O4/c1-16(2)5-4-6-17(3)25-21(27)15-30-23(29)19-11-13-26(14-12-19)22(28)18-7-9-20(24)10-8-18/h7-10,16-17,19H,4-6,11-15H2,1-3H3,(H,25,27)