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

Systemtic Name: (4-butyl-2-cyano-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Openeye Name: (4-butyl-2-cyano-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate CAS Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Traditional Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (4-butyl-2-cyano-phenyl) ester Formula: C32H43NO2 MolecularWeight: 473.68932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(CC)CCCC)C#N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(CC)CCCC)C#N

InChI

InChI=1S/C32H43NO2/c1-4-7-9-24(6-3)21-26-11-14-27(15-12-26)28-16-18-29(19-17-28)32(34)35-31-20-13-25(10-8-5-2)22-30(31)23-33/h13,16-20,22,24,26-27H,4-12,14-15,21H2,1-3H3