6-fluoranyl-1-(2-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-7-[1-(phenylmethoxycarbonylamino)cyclopropyl]quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(2-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-7-[1-(phenylmethoxycarbonylamino)cyclopropyl]quinoline-3-carboxylic acid Openeye Name: 7-[1-(benzyloxycarbonylamino)cyclopropyl]-6-fluoro-1-(2-fluoro-4-methoxy-phenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoro-4-methoxyphenyl)-4-oxo-7-[1-(phenylmethoxycarbonylamino)cyclopropyl]-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoro-4-methoxyphenyl)-4-oxo-7-[1-(phenylmethoxycarbonylamino)cyclopropyl]quinoline-3-carboxylic acid Traditional Name: 7-[1-(benzyloxycarbonylamino)cyclopropyl]-6-fluoro-1-(2-fluoro-4-methoxy-phenyl)-4-keto-quinoline-3-carboxylic acid Formula: C28H22F2N2O6 MolecularWeight: 520.480886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)C4(CC4)NC(=O)OCC5=CC=CC=C5)F)C(=O)O)F

Isomeric SMILES

COC1=CC(=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)C4(CC4)NC(=O)OCC5=CC=CC=C5)F)C(=O)O)F

InChI

InChI=1S/C28H22F2N2O6/c1-37-17-7-8-23(22(30)11-17)32-14-19(26(34)35)25(33)18-12-21(29)20(13-24(18)32)28(9-10-28)31-27(36)38-15-16-5-3-2-4-6-16/h2-8,11-14H,9-10,15H2,1H3,(H,31,36)(H,34,35)