[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C26H20BrNO3 MolecularWeight: 474.3459

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H20BrNO3/c1-2-17-8-10-19(11-9-17)25(29)16-31-26(30)22-15-24(18-6-4-3-5-7-18)28-23-13-12-20(27)14-21(22)23/h3-15H,2,16H2,1H3