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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-heptoxyphenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-heptoxyphenyl)benzoate CAS Name: 4-(4-heptoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-heptoxyphenyl)benzoate Traditional Name: 4-(4-heptoxyphenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C34H47NO3 MolecularWeight: 517.74188

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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)OCCCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C34H47NO3/c1-3-5-7-9-11-23-34(27-35)24-21-32(22-25-34)38-33(36)30-15-13-28(14-16-30)29-17-19-31(20-18-29)37-26-12-10-8-6-4-2/h13-20,32H,3-12,21-26H2,1-2H3