4-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid

Systemtic Name: 4-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid Openeye Name: 4-[(5-chloro-8-hydroxy-7-quinolyl)-(2-pyridylamino)methyl]benzoic acid CAS Name: 4-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-pyridinylamino)methyl]benzoic acid IUPAC Name: 4-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoic acid Traditional Name: 4-[(5-chloro-8-hydroxy-7-quinolyl)-(2-pyridylamino)methyl]benzoic acid Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(C2=CC=C(C=C2)C(=O)O)C3=CC(=C4C=CC=NC4=C3O)Cl

Isomeric SMILES

C1=CC=NC(=C1)NC(C2=CC=C(C=C2)C(=O)O)C3=CC(=C4C=CC=NC4=C3O)Cl

InChI

InChI=1S/C22H16ClN3O3/c23-17-12-16(21(27)20-15(17)4-3-11-25-20)19(26-18-5-1-2-10-24-18)13-6-8-14(9-7-13)22(28)29/h1-12,19,27H,(H,24,26)(H,28,29)