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

Systemtic Name: (2-cyano-4-propyl-phenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-propyl-phenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate CAS Name: 4-[4-(2-methylbutyl)cyclohexyl]benzoic acid (2-cyano-4-propylphenyl) ester IUPAC Name: (2-cyano-4-propylphenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate Traditional Name: 4-[4-(2-methylbutyl)cyclohexyl]benzoic acid (2-cyano-4-propyl-phenyl) ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(C)CC)C#N

Isomeric SMILES

CCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(C)CC)C#N

InChI

InChI=1S/C28H35NO2/c1-4-6-21-9-16-27(26(18-21)19-29)31-28(30)25-14-12-24(13-15-25)23-10-7-22(8-11-23)17-20(3)5-2/h9,12-16,18,20,22-23H,4-8,10-11,17H2,1-3H3