[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 2-(4-bromophenyl)-6-ethyl-quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 2-(4-bromophenyl)-6-ethyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 2-(4-bromophenyl)-6-ethyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6-ethyl-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-(4-bromophenyl)-6-ethylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6-ethyl-cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C28H22BrClFNO3 MolecularWeight: 554.834583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H22BrClFNO3/c1-2-17-3-12-24-22(15-17)23(16-25(32-24)18-4-8-20(29)9-5-18)28(34)35-26(13-14-30)27(33)19-6-10-21(31)11-7-19/h3-12,15-16,26H,2,13-14H2,1H3