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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(4-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=NC=C2)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-25-17-6-5-15(12-18(17)26-2)19(14-7-9-21-10-8-14)22-11-3-4-16(13-22)20(23)24/h5-10,12,16,19H,3-4,11,13H2,1-2H3,(H,23,24)