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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)OC)OC

InChI

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