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(2-cyano-4-hexyl-phenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate

(2-cyano-4-hexyl-phenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate

Systemtic Name:(2-cyano-4-hexyl-phenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate
Openeye Name:(2-cyano-4-hexyl-phenyl) 4-(4-isopentylcyclohexyl)benzoate
CAS Name:4-[4-(3-methylbutyl)cyclohexyl]benzoic acid (2-cyano-4-hexylphenyl) ester
IUPAC Name:(2-cyano-4-hexylphenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate
Traditional Name:4-(4-isoamylcyclohexyl)benzoic acid (2-cyano-4-hexyl-phenyl) ester
Formula: C31H41NO2
MolecularWeight: 459.66274
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C31H41NO2/c1-4-5-6-7-8-25-13-20-30(29(21-25)22-32)34-31(33)28-18-16-27(17-19-28)26-14-11-24(12-15-26)10-9-23(2)3/h13,16-21,23-24,26H,4-12,14-15H2,1-3H3


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