[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-butylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-butylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-butylphenyl)-6-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=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C29H26BrNO3/c1-3-4-5-20-7-9-21(10-8-20)27-17-25(24-16-19(2)6-15-26(24)31-27)29(33)34-18-28(32)22-11-13-23(30)14-12-22/h6-17H,3-5,18H2,1-2H3