[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C27H19FN2O6 MolecularWeight: 486.447963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F)OCO2

InChI

InChI=1S/C27H19FN2O6/c1-15(31)19-11-24-25(36-14-35-24)12-23(19)30-26(32)13-34-27(33)20-10-22(16-6-8-17(28)9-7-16)29-21-5-3-2-4-18(20)21/h2-12H,13-14H2,1H3,(H,30,32)