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

Systemtic Name: 1-[quinolin-4-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[4-quinolyl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[4-quinolinyl-(3,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-4-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-quinolyl-(3,4,5-trimethoxyphenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=NC3=CC=CC=C23)N4CCCCC4C(=O)O

InChI

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