6-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(hydroxymethyl)quinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(hydroxymethyl)quinoline-3-carboxylic acid Openeye Name: 6-bromo-4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(hydroxymethyl)quinoline-3-carboxylic acid CAS Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(hydroxymethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(hydroxymethyl)quinoline-3-carboxylic acid Traditional Name: 6-bromo-4-[(3-chloro-4-methoxy-benzyl)amino]-8-methylol-quinoline-3-carboxylic acid Formula: C19H16BrClN2O4 MolecularWeight: 451.69834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=NC3=C(C=C(C=C32)Br)CO)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=NC3=C(C=C(C=C32)Br)CO)C(=O)O)Cl

InChI

InChI=1S/C19H16BrClN2O4/c1-27-16-3-2-10(4-15(16)21)7-22-18-13-6-12(20)5-11(9-24)17(13)23-8-14(18)19(25)26/h2-6,8,24H,7,9H2,1H3,(H,22,23)(H,25,26)