1-[(2,6-dimethoxyphenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(4-quinolyl)methyl]nipecotic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

InChI

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