[2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-heptylphenyl)-2-oxo-ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-heptylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-heptylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-heptylphenyl)-2-oxoethyl] 2-(4-heptylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-heptylphenyl)-8-methyl-cinchoninic acid [2-(4-heptylphenyl)-2-keto-ethyl] ester Formula: C39H47NO3 MolecularWeight: 577.79538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H47NO3/c1-4-6-8-10-12-16-30-19-23-32(24-20-30)36-27-35(34-18-14-15-29(3)38(34)40-36)39(42)43-28-37(41)33-25-21-31(22-26-33)17-13-11-9-7-5-2/h14-15,18-27H,4-13,16-17,28H2,1-3H3