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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-bromo-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C27H21Br2NO3 MolecularWeight: 567.26854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21Br2NO3/c1-3-17-13-21(29)14-22-24(16(2)25(30-26(17)22)19-7-5-4-6-8-19)27(32)33-15-23(31)18-9-11-20(28)12-10-18/h4-14H,3,15H2,1-2H3