(4-cyano-4-pentyl-cyclohexyl) 4-butoxybenzoate

Systemtic Name: (4-cyano-4-pentyl-cyclohexyl) 4-butoxybenzoate Openeye Name: (4-cyano-4-pentyl-cyclohexyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (4-cyano-4-pentylcyclohexyl) ester IUPAC Name: (4-cyano-4-pentylcyclohexyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-amyl-4-cyano-cyclohexyl) ester Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OCCCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OCCCC)C#N

InChI

InChI=1S/C23H33NO3/c1-3-5-7-14-23(18-24)15-12-21(13-16-23)27-22(25)19-8-10-20(11-9-19)26-17-6-4-2/h8-11,21H,3-7,12-17H2,1-2H3