(1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-heptylphenyl)-6-methyl-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-(4-heptylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-heptylphenyl)-6-methyl-cinchoninic acid 1-benzoylpropyl 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=C(C=C3)C)C(=C2)C(=O)OC(CC)C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C34H37NO3/c1-4-6-7-8-10-13-25-17-19-26(20-18-25)31-23-29(28-22-24(3)16-21-30(28)35-31)34(37)38-32(5-2)33(36)27-14-11-9-12-15-27/h9,11-12,14-23,32H,4-8,10,13H2,1-3H3