[4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 7-chloranyl-8-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 7-chloranyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 7-chloro-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-phenyl-4-quinolinecarboxylic acid [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] 7-chloro-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-phenyl-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(C=CC2=C1N=C(C=C2C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)Cl

InChI

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