[2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-cinchoninic acid [2-(4-acetoxyphenyl)-2-keto-ethyl] ester Formula: C29H23BrClNO5 MolecularWeight: 580.85362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C29H23BrClNO5/c1-4-18-13-21(30)14-24-26(16(2)27(32-28(18)24)20-5-9-22(31)10-6-20)29(35)36-15-25(34)19-7-11-23(12-8-19)37-17(3)33/h5-14H,4,15H2,1-3H3