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

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] 2-(4-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-3-methyl-cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C27H20Cl3NO3 MolecularWeight: 512.8116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H20Cl3NO3/c1-16-24(27(33)34-23(14-15-28)26(32)18-8-12-20(30)13-9-18)21-4-2-3-5-22(21)31-25(16)17-6-10-19(29)11-7-17/h2-13,23H,14-15H2,1H3