[2-(butylamino)-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(O3)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(O3)C

InChI

InChI=1S/C21H22N2O4/c1-3-4-11-22-20(24)13-26-21(25)16-12-18(19-10-9-14(2)27-19)23-17-8-6-5-7-15(16)17/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)