[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22N2O4/c1-14(2)23-21(25)13-28-22(26)18-12-20(15-8-10-16(27-3)11-9-15)24-19-7-5-4-6-17(18)19/h4-12,14H,13H2,1-3H3,(H,23,25)