[4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 2-(4-benzyloxyphenyl)-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 7,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] 7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-7,8-dimethyl-cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C35H29Cl2NO4 MolecularWeight: 598.51506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C35H29Cl2NO4/c1-22-8-17-29-30(35(40)42-32(18-19-36)34(39)26-9-13-27(37)14-10-26)20-31(38-33(29)23(22)2)25-11-15-28(16-12-25)41-21-24-6-4-3-5-7-24/h3-17,20,32H,18-19,21H2,1-2H3