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

Systemtic Name: (2-cyano-4-pentyl-phenyl) 4-(4-methylcyclohexyl)benzoate Openeye Name: (2-cyano-4-pentyl-phenyl) 4-(4-methylcyclohexyl)benzoate CAS Name: 4-(4-methylcyclohexyl)benzoic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 4-(4-methylcyclohexyl)benzoate Traditional Name: 4-(4-methylcyclohexyl)benzoic acid (4-amyl-2-cyano-phenyl) ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO2/c1-3-4-5-6-20-9-16-25(24(17-20)18-27)29-26(28)23-14-12-22(13-15-23)21-10-7-19(2)8-11-21/h9,12-17,19,21H,3-8,10-11H2,1-2H3