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

Systemtic Name: (2-cyano-4-pentyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-pentyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate CAS Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Traditional Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (4-amyl-2-cyano-phenyl) ester Formula: C33H45NO2 MolecularWeight: 487.7159

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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(CC)CCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C33H45NO2/c1-4-7-9-11-26-14-21-32(31(23-26)24-34)36-33(35)30-19-17-29(18-20-30)28-15-12-27(13-16-28)22-25(6-3)10-8-5-2/h14,17-21,23,25,27-28H,4-13,15-16,22H2,1-3H3