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

Systemtic Name: 1-[quinolin-4-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-quinolyl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[4-quinolinyl-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-4-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-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=CC=NC3=CC=CC=C23)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=NC3=CC=CC=C23)N4CCC(CC4)C(=O)O

InChI

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