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

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(2-pyridyl)methyl]nipecotic acid Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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