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phenacyl 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylate

phenacyl 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name:phenacyl 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylate
Openeye Name:phenacyl 2-(4-heptylphenyl)-6-methyl-quinoline-4-carboxylate
CAS Name:2-(4-heptylphenyl)-6-methyl-4-quinolinecarboxylic acid phenacyl ester
IUPAC Name:phenacyl 2-(4-heptylphenyl)-6-methylquinoline-4-carboxylate
Traditional Name:2-(4-heptylphenyl)-6-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=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4


Isomeric SMILES

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


InChI

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


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