(2-cyano-4-pentyl-phenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-pentyl-phenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-pentyl-phenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexanecarboxylate CAS Name: 1-[4-(2-methylbutyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-(2-methylbutyl)phenyl]cyclohexanecarboxylic 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(CCCCC2)C3=CC=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CC)C#N

InChI

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