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

Systemtic Name: (4-propylphenyl) 4-cyano-4-propyl-cyclohexane-1-carboxylate Openeye Name: (4-propylphenyl) 4-cyano-4-propyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-propyl-1-cyclohexanecarboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-cyano-4-propylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-propyl-cyclohexanecarboxylic acid (4-propylphenyl) ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCC)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCC)C#N

InChI

InChI=1S/C20H27NO2/c1-3-5-16-6-8-18(9-7-16)23-19(22)17-10-13-20(15-21,12-4-2)14-11-17/h6-9,17H,3-5,10-14H2,1-2H3