(2-cyano-4-hexyl-phenyl) 4-(4-methylcyclohexyl)benzoate

Systemtic Name: (2-cyano-4-hexyl-phenyl) 4-(4-methylcyclohexyl)benzoate Openeye Name: (2-cyano-4-hexyl-phenyl) 4-(4-methylcyclohexyl)benzoate CAS Name: 4-(4-methylcyclohexyl)benzoic acid (2-cyano-4-hexylphenyl) ester IUPAC Name: (2-cyano-4-hexylphenyl) 4-(4-methylcyclohexyl)benzoate Traditional Name: 4-(4-methylcyclohexyl)benzoic acid (2-cyano-4-hexyl-phenyl) ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)C)C#N

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)C)C#N

InChI

InChI=1S/C27H33NO2/c1-3-4-5-6-7-21-10-17-26(25(18-21)19-28)30-27(29)24-15-13-23(14-16-24)22-11-8-20(2)9-12-22/h10,13-18,20,22H,3-9,11-12H2,1-2H3