ethyl 1-[[5-(3,4-dimethoxyphenyl)pyridin-3-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[5-(3,4-dimethoxyphenyl)pyridin-3-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[5-(3,4-dimethoxyphenyl)-3-pyridyl]methyl]piperidine-3-carboxylate CAS Name: 1-[[5-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(3,4-dimethoxyphenyl)pyridin-3-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[5-(3,4-dimethoxyphenyl)-3-pyridyl]methyl]nipecotic acid ethyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CN=CC(=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=CN=CC(=C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-4-28-22(25)18-6-5-9-24(15-18)14-16-10-19(13-23-12-16)17-7-8-20(26-2)21(11-17)27-3/h7-8,10-13,18H,4-6,9,14-15H2,1-3H3