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

Systemtic Name: [2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-heptylphenyl)-2-oxo-ethyl] 2-(4-heptylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-heptylphenyl)-4-quinolinecarboxylic acid [2-(4-heptylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-heptylphenyl)-2-oxoethyl] 2-(4-heptylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-heptylphenyl)cinchoninic acid [2-(4-heptylphenyl)-2-keto-ethyl] ester Formula: C38H45NO3 MolecularWeight: 563.7688

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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)CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C38H45NO3/c1-3-5-7-9-11-15-29-19-23-31(24-20-29)36-27-34(33-17-13-14-18-35(33)39-36)38(41)42-28-37(40)32-25-21-30(22-26-32)16-12-10-8-6-4-2/h13-14,17-27H,3-12,15-16,28H2,1-2H3