[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C27H21FN2O4 MolecularWeight: 456.465043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=C(C=C(C=C4)NC(=O)C)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=C(C=C(C=C4)NC(=O)C)F

InChI

InChI=1S/C27H21FN2O4/c1-16-7-9-18(10-8-16)25-14-22(20-5-3-4-6-24(20)30-25)27(33)34-15-26(32)21-12-11-19(13-23(21)28)29-17(2)31/h3-14H,15H2,1-2H3,(H,29,31)