ethyl 3-[(3-chlorophenyl)methyl]-1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-1-[1-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxylate Traditional Name: 3-(3-chlorobenzyl)-1-[2-(2-ketopyrrolidino)acetyl]nipecotic acid ethyl ester Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CN2CCCC2=O)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CN2CCCC2=O)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H27ClN2O4/c1-2-28-20(27)21(13-16-6-3-7-17(22)12-16)9-5-11-24(15-21)19(26)14-23-10-4-8-18(23)25/h3,6-7,12H,2,4-5,8-11,13-15H2,1H3