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

Systemtic Name: [4-(4-pentylphenyl)phenyl] 1-cyano-3-methyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-pentylphenyl)phenyl] 1-cyano-3-methyl-cyclohexanecarboxylate CAS Name: 1-cyano-3-methyl-1-cyclohexanecarboxylic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 1-cyano-3-methylcyclohexane-1-carboxylate Traditional Name: 1-cyano-3-methyl-cyclohexanecarboxylic acid [4-(4-amylphenyl)phenyl] ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)C)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)C)C#N

InChI

InChI=1S/C26H31NO2/c1-3-4-5-8-21-9-11-22(12-10-21)23-13-15-24(16-14-23)29-25(28)26(19-27)17-6-7-20(2)18-26/h9-16,20H,3-8,17-18H2,1-2H3