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

Systemtic Name: (4-ethylphenyl) 2-cyano-4-[4-(3-methylbutyl)cyclohexyl]benzoate Openeye Name: (4-ethylphenyl) 2-cyano-4-(4-isopentylcyclohexyl)benzoate CAS Name: 2-cyano-4-[4-(3-methylbutyl)cyclohexyl]benzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 2-cyano-4-[4-(3-methylbutyl)cyclohexyl]benzoate Traditional Name: 2-cyano-4-(4-isoamylcyclohexyl)benzoic acid (4-ethylphenyl) ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3CCC(CC3)CCC(C)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3CCC(CC3)CCC(C)C)C#N

InChI

InChI=1S/C27H33NO2/c1-4-20-9-14-25(15-10-20)30-27(29)26-16-13-23(17-24(26)18-28)22-11-7-21(8-12-22)6-5-19(2)3/h9-10,13-17,19,21-22H,4-8,11-12H2,1-3H3