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

Systemtic Name: 1-[quinolin-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-quinolyl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-quinolinyl-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-quinolyl-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H28N2O5/c1-30-21-14-18(15-22(31-2)24(21)32-3)23(27-12-10-17(11-13-27)25(28)29)20-9-8-16-6-4-5-7-19(16)26-20/h4-9,14-15,17,23H,10-13H2,1-3H3,(H,28,29)