7-(2-ethyl-5-oxidanyl-4-pentoxy-phenoxy)-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-(2-ethyl-5-oxidanyl-4-pentoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(2-ethyl-5-hydroxy-4-pentoxy-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(2-ethyl-5-hydroxy-4-pentoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(2-ethyl-5-hydroxy-4-pentoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(4-amoxy-2-ethyl-5-hydroxy-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)CC)OCCCCCC(C)(C)C#N)O

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)CC)OCCCCCC(C)(C)C#N)O

InChI

InChI=1S/C22H35NO3/c1-5-7-10-13-26-21-15-18(6-2)20(16-19(21)24)25-14-11-8-9-12-22(3,4)17-23/h15-16,24H,5-14H2,1-4H3