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

Systemtic Name: 1-[quinolin-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-quinolyl-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-quinolinyl-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-quinolyl-(3,4,5-trimethoxyphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

InChI

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