[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C28H21BrN2O3 MolecularWeight: 513.38194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C28H21BrN2O3/c1-2-17-9-6-10-20-23(15-30-27(17)20)26(32)16-34-28(33)22-14-25(18-7-4-3-5-8-18)31-24-12-11-19(29)13-21(22)24/h3-15,30H,2,16H2,1H3