(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H20FNO4 MolecularWeight: 453.461103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C28H20FNO4/c1-16-7-12-21-19(13-26(31)34-27(21)17(16)2)15-33-28(32)23-14-25(18-8-10-20(29)11-9-18)30-24-6-4-3-5-22(23)24/h3-14H,15H2,1-2H3