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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

InChI

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