1-[(3,4-dimethoxyphenyl)-(6-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(6-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(6-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26N2O4/c1-14-5-4-6-17(22-14)20(23-11-9-15(10-12-23)21(24)25)16-7-8-18(26-2)19(13-16)27-3/h4-8,13,15,20H,9-12H2,1-3H3,(H,24,25)