[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C25H22N2O4/c1-17-7-2-3-8-18(17)12-13-26-24(28)16-31-25(29)20-15-22(23-11-6-14-30-23)27-21-10-5-4-9-19(20)21/h2-11,14-15H,12-13,16H2,1H3,(H,26,28)