(2-cyano-4-hexan-2-yl-phenyl) 4-(4-propylcyclohexyl)benzoate

Systemtic Name: (2-cyano-4-hexan-2-yl-phenyl) 4-(4-propylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(1-methylpentyl)phenyl] 4-(4-propylcyclohexyl)benzoate CAS Name: 4-(4-propylcyclohexyl)benzoic acid (2-cyano-4-hexan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-hexan-2-ylphenyl) 4-(4-propylcyclohexyl)benzoate Traditional Name: 4-(4-propylcyclohexyl)benzoic acid [2-cyano-4-(1-methylpentyl)phenyl] ester Formula: C29H37NO2 MolecularWeight: 431.60958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-4-6-8-21(3)26-17-18-28(27(19-26)20-30)32-29(31)25-15-13-24(14-16-25)23-11-9-22(7-5-2)10-12-23/h13-19,21-23H,4-12H2,1-3H3