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

Systemtic Name: (2-cyano-4-octyl-phenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate Openeye Name: (2-cyano-4-octyl-phenyl) 4-[4-(1-methylpentyl)cyclohexyl]benzoate CAS Name: 4-(4-hexan-2-ylcyclohexyl)benzoic acid (2-cyano-4-octylphenyl) ester IUPAC Name: (2-cyano-4-octylphenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate Traditional Name: 4-[4-(1-methylpentyl)cyclohexyl]benzoic acid (2-cyano-4-octyl-phenyl) ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)C(C)CCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)C(C)CCCC)C#N

InChI

InChI=1S/C34H47NO2/c1-4-6-8-9-10-11-13-27-14-23-33(32(24-27)25-35)37-34(36)31-21-19-30(20-22-31)29-17-15-28(16-18-29)26(3)12-7-5-2/h14,19-24,26,28-29H,4-13,15-18H2,1-3H3