(4-pentylphenyl) 4-cyanocyclohexane-1-carboxylate

Systemtic Name: (4-pentylphenyl) 4-cyanocyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-cyanocyclohexanecarboxylate CAS Name: 4-cyano-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-cyanocyclohexane-1-carboxylate Traditional Name: 4-cyanocyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C#N

InChI

InChI=1S/C19H25NO2/c1-2-3-4-5-15-8-12-18(13-9-15)22-19(21)17-10-6-16(14-20)7-11-17/h8-9,12-13,16-17H,2-7,10-11H2,1H3