[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)quinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C31H30BrNO3/c1-2-3-4-5-6-9-22-12-14-23(15-13-22)29-20-27(26-10-7-8-11-28(26)33-29)31(35)36-21-30(34)24-16-18-25(32)19-17-24/h7-8,10-20H,2-6,9,21H2,1H3