[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C27H21BrN2O3 MolecularWeight: 501.37124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H21BrN2O3/c28-20-13-11-18(12-14-20)24-16-22(21-8-2-3-9-23(21)29-24)27(32)33-17-26(31)30-15-5-7-19-6-1-4-10-25(19)30/h1-4,6,8-14,16H,5,7,15,17H2