1-[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]quinolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]-2-quinolyl]isonipecotic acid Formula: C23H23Cl2N3O3 MolecularWeight: 460.35302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC(=NC3=C2C=C(C=C3)Cl)N4CCC(CC4)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC(=NC3=C2C=C(C=C3)Cl)N4CCC(CC4)C(=O)O)Cl

InChI

InChI=1S/C23H23Cl2N3O3/c1-31-21-5-2-14(10-18(21)25)13-26-20-12-22(27-19-4-3-16(24)11-17(19)20)28-8-6-15(7-9-28)23(29)30/h2-5,10-12,15H,6-9,13H2,1H3,(H,26,27)(H,29,30)