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

Systemtic Name: 1-[quinolin-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-quinolyl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[2-quinolinyl-(3,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-quinolyl-(3,4,5-trimethoxyphenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3C=C2)N4CCCCC4C(=O)O

InChI

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