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

Systemtic Name: (2-cyano-4-pentyl-phenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-pentyl-phenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate CAS Name: 4-[4-(2-methylbutyl)cyclohexyl]benzoic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate Traditional Name: 4-[4-(2-methylbutyl)cyclohexyl]benzoic acid (4-amyl-2-cyano-phenyl) ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39NO2/c1-4-6-7-8-23-11-18-29(28(20-23)21-31)33-30(32)27-16-14-26(15-17-27)25-12-9-24(10-13-25)19-22(3)5-2/h11,14-18,20,22,24-25H,4-10,12-13,19H2,1-3H3