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

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 7,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 7,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 7,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 7,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 7,8-dimethyl-2-phenyl-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(C2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)F)C

InChI

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