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

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(3-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=CN=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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