(2-cyano-4-hexyl-phenyl) 4-(4-propylcyclohexyl)benzoate

Systemtic Name: (2-cyano-4-hexyl-phenyl) 4-(4-propylcyclohexyl)benzoate Openeye Name: (2-cyano-4-hexyl-phenyl) 4-(4-propylcyclohexyl)benzoate CAS Name: 4-(4-propylcyclohexyl)benzoic acid (2-cyano-4-hexylphenyl) ester IUPAC Name: (2-cyano-4-hexylphenyl) 4-(4-propylcyclohexyl)benzoate Traditional Name: 4-(4-propylcyclohexyl)benzoic acid (2-cyano-4-hexyl-phenyl) ester Formula: C29H37NO2 MolecularWeight: 431.60958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC)C#N

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC)C#N

InChI

InChI=1S/C29H37NO2/c1-3-5-6-7-9-23-12-19-28(27(20-23)21-30)32-29(31)26-17-15-25(16-18-26)24-13-10-22(8-4-2)11-14-24/h12,15-20,22,24H,3-11,13-14H2,1-2H3