[5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: [5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester IUPAC Name: [5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid [5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester Formula: C28H22FN3O6 MolecularWeight: 515.489183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H22FN3O6/c1-2-36-27(34)24-22(31-28(35)32-25(24)23-8-5-13-37-23)15-38-26(33)19-14-21(16-9-11-17(29)12-10-16)30-20-7-4-3-6-18(19)20/h3-14,25H,2,15H2,1H3,(H2,31,32,35)