(4-butylphenyl) 4-cyano-4-propyl-cyclohexane-1-carboxylate

Systemtic Name: (4-butylphenyl) 4-cyano-4-propyl-cyclohexane-1-carboxylate Openeye Name: (4-butylphenyl) 4-cyano-4-propyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-propyl-1-cyclohexanecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 4-cyano-4-propylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-propyl-cyclohexanecarboxylic acid (4-butylphenyl) ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCC)C#N

InChI

InChI=1S/C21H29NO2/c1-3-5-6-17-7-9-19(10-8-17)24-20(23)18-11-14-21(16-22,13-4-2)15-12-18/h7-10,18H,3-6,11-15H2,1-2H3