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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-hexylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-hexylphenyl)-6-methyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C31H30BrNO3 MolecularWeight: 544.4788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=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

CCCCCCC1=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/C31H30BrNO3/c1-3-4-5-6-7-22-9-11-23(12-10-22)29-19-27(26-18-21(2)8-17-28(26)33-29)31(35)36-20-30(34)24-13-15-25(32)16-14-24/h8-19H,3-7,20H2,1-2H3