ethyl 1-[2-(pyridin-3-ylmethoxy)phenyl]carbonyl-3-(pyridin-3-ylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(pyridin-3-ylmethoxy)phenyl]carbonyl-3-(pyridin-3-ylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3-pyridylmethoxy)benzoyl]-3-(3-pyridylmethyl)piperidine-3-carboxylate CAS Name: 1-[oxo-[2-(3-pyridinylmethoxy)phenyl]methyl]-3-(3-pyridinylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(pyridin-3-ylmethoxy)benzoyl]-3-(pyridin-3-ylmethyl)piperidine-3-carboxylate Traditional Name: 1-[2-(3-pyridylmethoxy)benzoyl]-3-(3-pyridylmethyl)nipecotic acid ethyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4/c1-2-33-26(32)27(16-21-8-5-13-28-17-21)12-7-15-30(20-27)25(31)23-10-3-4-11-24(23)34-19-22-9-6-14-29-18-22/h3-6,8-11,13-14,17-18H,2,7,12,15-16,19-20H2,1H3