(4-cyano-4-propyl-cyclohexyl) 4-butoxybenzoate

Systemtic Name: (4-cyano-4-propyl-cyclohexyl) 4-butoxybenzoate Openeye Name: (4-cyano-4-propyl-cyclohexyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (4-cyano-4-propylcyclohexyl) ester IUPAC Name: (4-cyano-4-propylcyclohexyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-cyano-4-propyl-cyclohexyl) ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCC)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCC)C#N

InChI

InChI=1S/C21H29NO3/c1-3-5-15-24-18-8-6-17(7-9-18)20(23)25-19-10-13-21(16-22,12-4-2)14-11-19/h6-9,19H,3-5,10-15H2,1-2H3