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

Systemtic Name: 6-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-methoxycarbonyl-quinoline-3-carboxylic acid Openeye Name: 6-bromo-4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-methoxycarbonyl-quinoline-3-carboxylic acid CAS Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-methoxycarbonyl-3-quinolinecarboxylic acid IUPAC Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-methoxycarbonylquinoline-3-carboxylic acid Traditional Name: 6-bromo-8-carbomethoxy-4-[(3-chloro-4-methoxy-benzyl)amino]quinoline-3-carboxylic acid Formula: C20H16BrClN2O5 MolecularWeight: 479.70844

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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)C(=O)OC)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrClN2O5/c1-28-16-4-3-10(5-15(16)22)8-23-18-12-6-11(21)7-13(20(27)29-2)17(12)24-9-14(18)19(25)26/h3-7,9H,8H2,1-2H3,(H,23,24)(H,25,26)