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

Systemtic Name: 1-[quinolin-3-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-quinolyl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[3-quinolinyl-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-3-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-quinolyl-(2,3,4-trimethoxyphenyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O)OC)OC

InChI

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