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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)OC)OC

InChI

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