1-[1-[6,8-bis(chloranyl)-2-phenyl-quinolin-4-yl]carbonylpiperidin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-[6,8-bis(chloranyl)-2-phenyl-quinolin-4-yl]carbonylpiperidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(6,8-dichloro-2-phenyl-quinoline-4-carbonyl)-4-piperidyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[(6,8-dichloro-2-phenyl-4-quinolinyl)-oxomethyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(6,8-dichloro-2-phenylquinoline-4-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(6,8-dichloro-2-phenyl-quinoline-4-carbonyl)-4-piperidyl]nipecotic acid Formula: C27H27Cl2N3O3 MolecularWeight: 512.42758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=C(C=C(C=C34)Cl)Cl)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=C(C=C(C=C34)Cl)Cl)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H27Cl2N3O3/c28-19-13-21-22(15-24(17-5-2-1-3-6-17)30-25(21)23(29)14-19)26(33)31-11-8-20(9-12-31)32-10-4-7-18(16-32)27(34)35/h1-3,5-6,13-15,18,20H,4,7-12,16H2,(H,34,35)