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

Systemtic Name: [2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-heptylphenyl)-2-oxo-ethyl] 8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-heptylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-heptylphenyl)-2-oxoethyl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 8-methyl-2-(p-tolyl)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=C2C=CC=C3C)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)C

InChI

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