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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(2-pyridyl)methyl]nipecotic acid Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C20H24N2O4/c1-25-17-9-8-14(12-18(17)26-2)19(16-7-3-4-10-21-16)22-11-5-6-15(13-22)20(23)24/h3-4,7-10,12,15,19H,5-6,11,13H2,1-2H3,(H,23,24)