[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 6-chloranyl-2-(3-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 6-chloranyl-2-(3-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 6-chloro-2-(3-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-chloro-2-(3-methoxyphenyl)-4-quinolinecarboxylic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 6-chloro-2-(3-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-chloro-2-(3-methoxyphenyl)cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C27H20Cl2FNO4 MolecularWeight: 512.356403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H20Cl2FNO4/c1-34-20-4-2-3-17(13-20)24-15-22(21-14-18(29)7-10-23(21)31-24)27(33)35-25(11-12-28)26(32)16-5-8-19(30)9-6-16/h2-10,13-15,25H,11-12H2,1H3