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

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

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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)CC

Isomeric SMILES

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

InChI

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