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

Systemtic Name: 6-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-propoxycarbonyl-quinoline-3-carboxylic acid Openeye Name: 6-bromo-4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-propoxycarbonyl-quinoline-3-carboxylic acid CAS Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[oxo(propoxy)methyl]-3-quinolinecarboxylic acid IUPAC Name: 6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-8-propoxycarbonylquinoline-3-carboxylic acid Traditional Name: 6-bromo-4-[(3-chloro-4-methoxy-benzyl)amino]-8-propoxycarbonyl-quinoline-3-carboxylic acid Formula: C22H20BrClN2O5 MolecularWeight: 507.7616

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C2C(=CC(=C1)Br)C(=C(C=N2)C(=O)O)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCCOC(=O)C1=C2C(=CC(=C1)Br)C(=C(C=N2)C(=O)O)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H20BrClN2O5/c1-3-6-31-22(29)15-9-13(23)8-14-19(15)26-11-16(21(27)28)20(14)25-10-12-4-5-18(30-2)17(24)7-12/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,25,26)(H,27,28)