(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (6-isopropyl-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-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C30H24FNO4 MolecularWeight: 481.514263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F)C(C)C

InChI

InChI=1S/C30H24FNO4/c1-17(2)23-14-24-20(13-29(33)36-28(24)12-18(23)3)16-35-30(34)25-15-27(19-8-10-21(31)11-9-19)32-26-7-5-4-6-22(25)26/h4-15,17H,16H2,1-3H3