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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-hexoxyphenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C33H45NO3 MolecularWeight: 503.7153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)C#N

InChI

InChI=1S/C33H45NO3/c1-3-5-7-9-10-22-33(26-34)23-20-31(21-24-33)37-32(35)29-14-12-27(13-15-29)28-16-18-30(19-17-28)36-25-11-8-6-4-2/h12-19,31H,3-11,20-25H2,1-2H3