[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H20N2O6 MolecularWeight: 444.4361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N2O6/c1-14-7-9-21(32-14)20-12-18(17-5-3-4-6-19(17)27-20)25(29)33-15(2)24(28)26-16-8-10-22-23(11-16)31-13-30-22/h3-12,15H,13H2,1-2H3,(H,26,28)