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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(C)CC)C#N

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(C)CC)C#N

InChI

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