(4-cyano-4-heptyl-cyclohexyl) 4-butoxybenzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-butoxybenzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C25H37NO3 MolecularWeight: 399.56618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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