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

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 2-(3-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 2-(3-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3-methoxyphenyl)-4-quinolinecarboxylic acid [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] 2-(3-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3-methoxyphenyl)cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C27H21Cl2NO4 MolecularWeight: 494.36594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H21Cl2NO4/c1-33-20-6-4-5-18(15-20)24-16-22(21-7-2-3-8-23(21)30-24)27(32)34-25(13-14-28)26(31)17-9-11-19(29)12-10-17/h2-12,15-16,25H,13-14H2,1H3