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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-heptylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-heptylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-heptylphenyl)-8-methyl-cinchoninic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C34H37NO3 MolecularWeight: 507.66248

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C34H37NO3/c1-4-6-7-8-9-12-26-16-18-27(19-17-26)31-22-30(29-13-10-11-24(3)33(29)35-31)34(37)38-23-32(36)28-20-14-25(5-2)15-21-28/h10-11,13-22H,4-9,12,23H2,1-3H3