(2-cyano-4-heptyl-phenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate

Systemtic Name: (2-cyano-4-heptyl-phenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate Openeye Name: (2-cyano-4-heptyl-phenyl) 4-[4-(1-methylpentyl)cyclohexyl]benzoate CAS Name: 4-(4-hexan-2-ylcyclohexyl)benzoic acid (2-cyano-4-heptylphenyl) ester IUPAC Name: (2-cyano-4-heptylphenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate Traditional Name: 4-[4-(1-methylpentyl)cyclohexyl]benzoic acid (2-cyano-4-heptyl-phenyl) ester Formula: C33H45NO2 MolecularWeight: 487.7159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45NO2/c1-4-6-8-9-10-12-26-13-22-32(31(23-26)24-34)36-33(35)30-20-18-29(19-21-30)28-16-14-27(15-17-28)25(3)11-7-5-2/h13,18-23,25,27-28H,4-12,14-17H2,1-3H3