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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-quinolyl)methyl]pipecolinic acid Formula: C24H25BrN2O4 MolecularWeight: 485.3703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O)Br)OC

InChI

InChI=1S/C24H25BrN2O4/c1-30-21-12-17(18(25)13-22(21)31-2)23(27-10-6-5-9-20(27)24(28)29)16-11-15-7-3-4-8-19(15)26-14-16/h3-4,7-8,11-14,20,23H,5-6,9-10H2,1-2H3,(H,28,29)