[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 2-(4-benzyloxyphenyl)-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 3,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,8-dimethyl-cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C35H29ClFNO4 MolecularWeight: 582.060463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C35H29ClFNO4/c1-22-7-6-10-29-31(35(40)42-30(19-20-36)34(39)26-11-15-27(37)16-12-26)23(2)33(38-32(22)29)25-13-17-28(18-14-25)41-21-24-8-4-3-5-9-24/h3-18,30H,19-21H2,1-2H3