[3-(5-methoxycarbonyl-2-methyl-furan-3-yl)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] quinoline-2-carboxylate

Systemtic Name: [3-(5-methoxycarbonyl-2-methyl-furan-3-yl)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] quinoline-2-carboxylate Openeye Name: [3-(5-methoxycarbonyl-2-methyl-3-furyl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [3-(5-methoxycarbonyl-2-methyl-3-furanyl)-8-methyl-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(5-methoxycarbonyl-2-methylfuran-3-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [3-(5-carbomethoxy-2-methyl-3-furyl)-4-keto-8-methyl-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H18F3NO7 MolecularWeight: 537.44023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)C3=C(OC(=C3)C(=O)OC)C)C(F)(F)F)OC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C3=C(OC(=C3)C(=O)OC)C)C(F)(F)F)OC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H18F3NO7/c1-13-20(38-26(34)19-10-8-15-6-4-5-7-18(15)32-19)11-9-16-23(33)22(25(28(29,30)31)39-24(13)16)17-12-21(27(35)36-3)37-14(17)2/h4-12H,1-3H3