(4-butylphenyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate

Systemtic Name: (4-butylphenyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: (4-butylphenyl) 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid (4-butylphenyl) ester Formula: C25H37NO2 MolecularWeight: 383.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCC)C#N

InChI

InChI=1S/C25H37NO2/c1-3-5-7-8-9-17-25(20-26)18-15-22(16-19-25)24(27)28-23-13-11-21(12-14-23)10-6-4-2/h11-14,22H,3-10,15-19H2,1-2H3