1-[(2,5-dimethoxyphenyl)-(3-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(3-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-(3-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=C(C=CC(=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=C(C=CC(=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

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