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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-(3-pyridyl)methyl]isonipecotic acid Formula: C20H24N2O4 MolecularWeight: 356.41556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

InChI

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