2-(3,4-dimethoxyphenyl)ethyl 1-[2-[(4-methoxyphenyl)amino]pyridin-3-yl]carbonylpiperidine-2-carboxylate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl 1-[2-[(4-methoxyphenyl)amino]pyridin-3-yl]carbonylpiperidine-2-carboxylate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl 1-[2-(4-methoxyanilino)pyridine-3-carbonyl]piperidine-2-carboxylate CAS Name: 1-[[2-(4-methoxyanilino)-3-pyridinyl]-oxomethyl]-2-piperidinecarboxylic acid 2-(3,4-dimethoxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl 1-[2-(4-methoxyanilino)pyridine-3-carbonyl]piperidine-2-carboxylate Traditional Name: 1-[2-(p-anisidino)nicotinoyl]pipecolinic acid homoveratryl ester Formula: C29H33N3O6 MolecularWeight: 519.58882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)N3CCCCC3C(=O)OCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)N3CCCCC3C(=O)OCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H33N3O6/c1-35-22-12-10-21(11-13-22)31-27-23(7-6-16-30-27)28(33)32-17-5-4-8-24(32)29(34)38-18-15-20-9-14-25(36-2)26(19-20)37-3/h6-7,9-14,16,19,24H,4-5,8,15,17-18H2,1-3H3,(H,30,31)