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

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

Systemtic Name:(4-butyl-2-cyano-phenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate
Openeye Name:(4-butyl-2-cyano-phenyl) 4-[4-(1-methylpentyl)cyclohexyl]benzoate
CAS Name:4-(4-hexan-2-ylcyclohexyl)benzoic acid (4-butyl-2-cyanophenyl) ester
IUPAC Name:(4-butyl-2-cyanophenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate
Traditional Name:4-[4-(1-methylpentyl)cyclohexyl]benzoic acid (4-butyl-2-cyano-phenyl) ester
Formula: C30H39NO2
MolecularWeight: 445.63616
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H39NO2/c1-4-6-8-22(3)24-11-13-25(14-12-24)26-15-17-27(18-16-26)30(32)33-29-19-10-23(9-7-5-2)20-28(29)21-31/h10,15-20,22,24-25H,4-9,11-14H2,1-3H3


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