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

Systemtic Name: (4-butoxyphenyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: (4-butoxyphenyl) 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid (4-butoxyphenyl) ester Formula: C25H37NO3 MolecularWeight: 399.56618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO3/c1-3-5-7-8-9-16-25(20-26)17-14-21(15-18-25)24(27)29-23-12-10-22(11-13-23)28-19-6-4-2/h10-13,21H,3-9,14-19H2,1-2H3