(4-cyano-4-heptyl-cyclohexyl) 4-butylbenzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-butylbenzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C25H37NO2 MolecularWeight: 383.56678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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