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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(3-quinolyl)methyl]nipecotic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4/c1-29-21-10-9-17(13-22(21)30-2)23(26-11-5-7-18(15-26)24(27)28)19-12-16-6-3-4-8-20(16)25-14-19/h3-4,6,8-10,12-14,18,23H,5,7,11,15H2,1-2H3,(H,27,28)