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

Systemtic Name: (2-cyano-4-propyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-propyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate CAS Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (2-cyano-4-propylphenyl) ester IUPAC Name: (2-cyano-4-propylphenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Traditional Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (2-cyano-4-propyl-phenyl) ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCC)C#N

Isomeric SMILES

CCCCC(CC)CC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCC)C#N

InChI

InChI=1S/C31H41NO2/c1-4-7-9-23(6-3)20-25-10-13-26(14-11-25)27-15-17-28(18-16-27)31(33)34-30-19-12-24(8-5-2)21-29(30)22-32/h12,15-19,21,23,25-26H,4-11,13-14,20H2,1-3H3