(4-cyano-4-propyl-cyclohexyl) 4-butylbenzoate

Systemtic Name: (4-cyano-4-propyl-cyclohexyl) 4-butylbenzoate Openeye Name: (4-cyano-4-propyl-cyclohexyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (4-cyano-4-propylcyclohexyl) ester IUPAC Name: (4-cyano-4-propylcyclohexyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-cyano-4-propyl-cyclohexyl) ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCC)C#N

InChI

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