6-ethyloctan-3-yl 4-cyanobenzoate

Systemtic Name: 6-ethyloctan-3-yl 4-cyanobenzoate Openeye Name: 1,4-diethylhexyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 6-ethyloctan-3-yl ester IUPAC Name: 6-ethyloctan-3-yl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid 1,4-diethylhexyl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC(CC)OC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCC(CC)CCC(CC)OC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C18H25NO2/c1-4-14(5-2)9-12-17(6-3)21-18(20)16-10-7-15(13-19)8-11-16/h7-8,10-11,14,17H,4-6,9,12H2,1-3H3