1-[(2,6-dimethoxyphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(3-methyl-4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-methyl-4-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(3-methyl-4-pyridyl)methyl]nipecotic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=C(C=CC=C2OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=C(C=CC=C2OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H26N2O4/c1-14-12-22-10-9-16(14)20(23-11-5-6-15(13-23)21(24)25)19-17(26-2)7-4-8-18(19)27-3/h4,7-10,12,15,20H,5-6,11,13H2,1-3H3,(H,24,25)