7-[2-ethyl-4-(3-methylbutoxy)-5-oxidanyl-phenoxy]-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-[2-ethyl-4-(3-methylbutoxy)-5-oxidanyl-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-(2-ethyl-5-hydroxy-4-isopentyloxy-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-5-hydroxy-4-(3-methylbutoxy)phenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[2-ethyl-5-hydroxy-4-(3-methylbutoxy)phenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-(2-ethyl-5-hydroxy-4-isoamoxy-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)O)OCCC(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)O)OCCC(C)C

InChI

InChI=1S/C22H35NO3/c1-6-18-14-21(26-13-10-17(2)3)19(24)15-20(18)25-12-9-7-8-11-22(4,5)16-23/h14-15,17,24H,6-13H2,1-5H3