phenacyl 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-heptylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-heptylphenyl)-8-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-heptylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-heptylphenyl)-8-methyl-cinchoninic acid phenacyl ester Formula: C32H33NO3 MolecularWeight: 479.60932

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C32H33NO3/c1-3-4-5-6-8-13-24-17-19-25(20-18-24)29-21-28(27-16-11-12-23(2)31(27)33-29)32(35)36-22-30(34)26-14-9-7-10-15-26/h7,9-12,14-21H,3-6,8,13,22H2,1-2H3