(4-butyl-4-cyano-cyclohexyl) 4-propylbenzoate

Systemtic Name: (4-butyl-4-cyano-cyclohexyl) 4-propylbenzoate Openeye Name: (4-butyl-4-cyano-cyclohexyl) 4-propylbenzoate CAS Name: 4-propylbenzoic acid (4-butyl-4-cyanocyclohexyl) ester IUPAC Name: (4-butyl-4-cyanocyclohexyl) 4-propylbenzoate Traditional Name: 4-propylbenzoic acid (4-butyl-4-cyano-cyclohexyl) ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)CCC)C#N

Isomeric SMILES

CCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)CCC)C#N

InChI

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