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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-quinolin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(2-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(2-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-quinolin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(2-quinolyl)methyl]isonipecotic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)OC

InChI

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