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

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

Systemtic Name:(4-butyl-2-cyano-phenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate
Openeye Name:(4-butyl-2-cyano-phenyl) 4-(4-isopentylcyclohexyl)benzoate
CAS Name:4-[4-(3-methylbutyl)cyclohexyl]benzoic acid (4-butyl-2-cyanophenyl) ester
IUPAC Name:(4-butyl-2-cyanophenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate
Traditional Name:4-(4-isoamylcyclohexyl)benzoic acid (4-butyl-2-cyano-phenyl) ester
Formula: C29H37NO2
MolecularWeight: 431.60958
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N


Isomeric SMILES

CCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N


InChI

InChI=1S/C29H37NO2/c1-4-5-6-23-11-18-28(27(19-23)20-30)32-29(31)26-16-14-25(15-17-26)24-12-9-22(10-13-24)8-7-21(2)3/h11,14-19,21-22,24H,4-10,12-13H2,1-3H3


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