[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-butylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-butylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-butylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-butylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-butylphenyl)-8-methyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C29H26BrNO3 MolecularWeight: 516.42564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C29H26BrNO3/c1-3-4-7-20-9-11-21(12-10-20)26-17-25(24-8-5-6-19(2)28(24)31-26)29(33)34-18-27(32)22-13-15-23(30)16-14-22/h5-6,8-17H,3-4,7,18H2,1-2H3