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

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

Systemtic Name:(2-cyano-4-pentyl-phenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate
Openeye Name:(2-cyano-4-pentyl-phenyl) 4-(4-isopentylcyclohexyl)benzoate
CAS Name:4-[4-(3-methylbutyl)cyclohexyl]benzoic acid (2-cyano-4-pentylphenyl) ester
IUPAC Name:(2-cyano-4-pentylphenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate
Traditional Name:4-(4-isoamylcyclohexyl)benzoic acid (4-amyl-2-cyano-phenyl) ester
Formula: C30H39NO2
MolecularWeight: 445.63616
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N


Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N


InChI

InChI=1S/C30H39NO2/c1-4-5-6-7-24-12-19-29(28(20-24)21-31)33-30(32)27-17-15-26(16-18-27)25-13-10-23(11-14-25)9-8-22(2)3/h12,15-20,22-23,25H,4-11,13-14H2,1-3H3


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