(4-cyano-4-propyl-cyclohexyl) 4-propylbenzoate

Systemtic Name: (4-cyano-4-propyl-cyclohexyl) 4-propylbenzoate Openeye Name: (4-cyano-4-propyl-cyclohexyl) 4-propylbenzoate CAS Name: 4-propylbenzoic acid (4-cyano-4-propylcyclohexyl) ester IUPAC Name: (4-cyano-4-propylcyclohexyl) 4-propylbenzoate Traditional Name: 4-propylbenzoic acid (4-cyano-4-propyl-cyclohexyl) ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCC)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCC)C#N

InChI

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