(4-heptylphenyl) 4-[4-cyano-4-(2-methylbutyl)cyclohexyl]benzoate

Systemtic Name: (4-heptylphenyl) 4-[4-cyano-4-(2-methylbutyl)cyclohexyl]benzoate Openeye Name: (4-heptylphenyl) 4-[4-cyano-4-(2-methylbutyl)cyclohexyl]benzoate CAS Name: 4-[4-cyano-4-(2-methylbutyl)cyclohexyl]benzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-[4-cyano-4-(2-methylbutyl)cyclohexyl]benzoate Traditional Name: 4-[4-cyano-4-(2-methylbutyl)cyclohexyl]benzoic acid (4-heptylphenyl) ester Formula: C32H43NO2 MolecularWeight: 473.68932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C32H43NO2/c1-4-6-7-8-9-10-26-11-17-30(18-12-26)35-31(34)29-15-13-27(14-16-29)28-19-21-32(24-33,22-20-28)23-25(3)5-2/h11-18,25,28H,4-10,19-23H2,1-3H3