[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3/c1-13-10-17(16-4-2-3-5-19(16)25-13)21(27)28-12-20(26)24-9-8-14-6-7-15(22)11-18(14)23/h2-7,10-11H,8-9,12H2,1H3,(H,24,26)