[4-(4-heptylphenyl)phenyl] 1-cyano-3-methyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-heptylphenyl)phenyl] 1-cyano-3-methyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-heptylphenyl)phenyl] 1-cyano-3-methyl-cyclohexanecarboxylate CAS Name: 1-cyano-3-methyl-1-cyclohexanecarboxylic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 1-cyano-3-methylcyclohexane-1-carboxylate Traditional Name: 1-cyano-3-methyl-cyclohexanecarboxylic acid [4-(4-heptylphenyl)phenyl] ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)C)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)C)C#N

InChI

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