[4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 6-ethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 6-ethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 6-ethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-ethyl-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] 6-ethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-ethyl-2-phenyl-cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C28H23Cl2NO3 MolecularWeight: 492.39312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C28H23Cl2NO3/c1-2-18-8-13-24-22(16-18)23(17-25(31-24)19-6-4-3-5-7-19)28(33)34-26(14-15-29)27(32)20-9-11-21(30)12-10-20/h3-13,16-17,26H,2,14-15H2,1H3