(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H18FNO4 MolecularWeight: 439.434523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H18FNO4/c1-16-6-11-20-18(13-26(30)33-25(20)12-16)15-32-27(31)22-14-24(17-7-9-19(28)10-8-17)29-23-5-3-2-4-21(22)23/h2-14H,15H2,1H3