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

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 2-(4-benzyloxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 3-methyl-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-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3-methyl-cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C34H27ClFNO4 MolecularWeight: 568.033883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C34H27ClFNO4/c1-22-31(34(39)41-30(19-20-35)33(38)25-11-15-26(36)16-12-25)28-9-5-6-10-29(28)37-32(22)24-13-17-27(18-14-24)40-21-23-7-3-2-4-8-23/h2-18,30H,19-21H2,1H3