[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-heptylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-heptylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-heptylphenyl)-6-methyl-cinchoninic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C33H35NO4 MolecularWeight: 509.6353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C33H35NO4/c1-4-5-6-7-8-9-24-11-13-25(14-12-24)31-21-29(28-20-23(2)10-19-30(28)34-31)33(36)38-22-32(35)26-15-17-27(37-3)18-16-26/h10-21H,4-9,22H2,1-3H3