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

Systemtic Name: 8-(acetyloxymethyl)-6-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]quinoline-3-carboxylic acid Openeye Name: 8-(acetoxymethyl)-6-bromo-4-[(3-chloro-4-methoxy-phenyl)methylamino]quinoline-3-carboxylic acid CAS Name: 8-(acetyloxymethyl)-6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]-3-quinolinecarboxylic acid IUPAC Name: 8-(acetyloxymethyl)-6-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]quinoline-3-carboxylic acid Traditional Name: 8-(acetoxymethyl)-6-bromo-4-[(3-chloro-4-methoxy-benzyl)amino]quinoline-3-carboxylic acid Formula: C21H18BrClN2O5 MolecularWeight: 493.73502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C2C(=CC(=C1)Br)C(=C(C=N2)C(=O)O)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(=O)OCC1=C2C(=CC(=C1)Br)C(=C(C=N2)C(=O)O)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H18BrClN2O5/c1-11(26)30-10-13-6-14(22)7-15-19(13)25-9-16(21(27)28)20(15)24-8-12-3-4-18(29-2)17(23)5-12/h3-7,9H,8,10H2,1-2H3,(H,24,25)(H,27,28)