(6-chloranylpyridin-3-yl)methyl 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 2-(3,4-dimethoxyphenyl)-6-oxo-1-(p-tolyl)piperidine-3-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-3-piperidinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)-6-keto-1-(p-tolyl)nipecotic acid (6-chloro-3-pyridyl)methyl ester Formula: C27H27ClN2O5 MolecularWeight: 494.96668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=CN=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=CN=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H27ClN2O5/c1-17-4-8-20(9-5-17)30-25(31)13-10-21(27(32)35-16-18-6-12-24(28)29-15-18)26(30)19-7-11-22(33-2)23(14-19)34-3/h4-9,11-12,14-15,21,26H,10,13,16H2,1-3H3