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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=NC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=NC=C2)N3CCCC(C3)C(=O)O

InChI

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