ethyl 3-[(4-chlorophenyl)methyl]-1-[2-(pyridin-3-ylmethoxy)phenyl]carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(4-chlorophenyl)methyl]-1-[2-(pyridin-3-ylmethoxy)phenyl]carbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(4-chlorophenyl)methyl]-1-[2-(3-pyridylmethoxy)benzoyl]piperidine-3-carboxylate CAS Name: 3-[(4-chlorophenyl)methyl]-1-[oxo-[2-(3-pyridinylmethoxy)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chlorophenyl)methyl]-1-[2-(pyridin-3-ylmethoxy)benzoyl]piperidine-3-carboxylate Traditional Name: 3-(4-chlorobenzyl)-1-[2-(3-pyridylmethoxy)benzoyl]nipecotic acid ethyl ester Formula: C28H29ClN2O4 MolecularWeight: 492.99386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CC=C2OCC3=CN=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CC=C2OCC3=CN=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H29ClN2O4/c1-2-34-27(33)28(17-21-10-12-23(29)13-11-21)14-6-16-31(20-28)26(32)24-8-3-4-9-25(24)35-19-22-7-5-15-30-18-22/h3-5,7-13,15,18H,2,6,14,16-17,19-20H2,1H3