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

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C28H23ClFNO3 MolecularWeight: 475.938523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C28H23ClFNO3/c1-17-7-8-20(15-18(17)2)25-16-23(22-5-3-4-6-24(22)31-25)28(33)34-26(13-14-29)27(32)19-9-11-21(30)12-10-19/h3-12,15-16,26H,13-14H2,1-2H3