[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C26H31ClN2O5 MolecularWeight: 486.98774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3OC

InChI

InChI=1S/C26H31ClN2O5/c1-3-4-15-29-24(31)14-13-21(25(29)20-7-5-6-8-22(20)33-2)26(32)34-17-23(30)28-16-18-9-11-19(27)12-10-18/h5-12,21,25H,3-4,13-17H2,1-2H3,(H,28,30)