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

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 4-(4-pentylcyclohexyl)benzoate Openeye Name: (2-cyano-4-isopentyl-phenyl) 4-(4-pentylcyclohexyl)benzoate CAS Name: 4-(4-pentylcyclohexyl)benzoic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)benzoic acid (2-cyano-4-isoamyl-phenyl) ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

InChI

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