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

Systemtic Name: [2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-heptylphenyl)-2-oxo-ethyl] 2-(4-ethylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-quinolinecarboxylic acid [2-(4-heptylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-heptylphenyl)-2-oxoethyl] 2-(4-ethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)cinchoninic acid [2-(4-heptylphenyl)-2-keto-ethyl] ester Formula: C33H35NO3 MolecularWeight: 493.6359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC

InChI

InChI=1S/C33H35NO3/c1-3-5-6-7-8-11-25-16-20-27(21-17-25)32(35)23-37-33(36)29-22-31(26-18-14-24(4-2)15-19-26)34-30-13-10-9-12-28(29)30/h9-10,12-22H,3-8,11,23H2,1-2H3