(2-cyano-4-heptyl-phenyl) 4-(4-methylcyclohexyl)benzoate

Systemtic Name: (2-cyano-4-heptyl-phenyl) 4-(4-methylcyclohexyl)benzoate Openeye Name: (2-cyano-4-heptyl-phenyl) 4-(4-methylcyclohexyl)benzoate CAS Name: 4-(4-methylcyclohexyl)benzoic acid (2-cyano-4-heptylphenyl) ester IUPAC Name: (2-cyano-4-heptylphenyl) 4-(4-methylcyclohexyl)benzoate Traditional Name: 4-(4-methylcyclohexyl)benzoic acid (2-cyano-4-heptyl-phenyl) ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO2/c1-3-4-5-6-7-8-22-11-18-27(26(19-22)20-29)31-28(30)25-16-14-24(15-17-25)23-12-9-21(2)10-13-23/h11,14-19,21,23H,3-10,12-13H2,1-2H3