[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 8-chloranyl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 8-chloranyl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 8-chloro-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxylic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 8-chloro-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxylate Traditional Name: 8-chloro-2-(4-methoxyphenyl)-3-methyl-cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C28H22Cl2FNO4 MolecularWeight: 526.382983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C(=C1C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)F)C=CC=C2Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=C2C(=C1C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)F)C=CC=C2Cl)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H22Cl2FNO4/c1-16-24(28(34)36-23(14-15-29)27(33)18-6-10-19(31)11-7-18)21-4-3-5-22(30)26(21)32-25(16)17-8-12-20(35-2)13-9-17/h3-13,23H,14-15H2,1-2H3