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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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