(4-cyano-4-heptyl-cyclohexyl) 4-(4-decoxyphenyl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-decoxyphenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-decoxyphenyl)benzoate CAS Name: 4-(4-decoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-decoxyphenyl)benzoate Traditional Name: 4-(4-decoxyphenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C37H53NO3 MolecularWeight: 559.82162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C37H53NO3/c1-3-5-7-9-10-11-13-15-29-40-34-22-20-32(21-23-34)31-16-18-33(19-17-31)36(39)41-35-24-27-37(30-38,28-25-35)26-14-12-8-6-4-2/h16-23,35H,3-15,24-29H2,1-2H3