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

Systemtic Name: 7-(2-ethyl-4-methoxy-5-oxidanyl-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(2-ethyl-5-hydroxy-4-methoxy-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(2-ethyl-5-hydroxy-4-methoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(2-ethyl-5-hydroxy-4-methoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(2-ethyl-5-hydroxy-4-methoxy-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-5-14-11-17(21-4)15(20)12-16(14)22-10-8-6-7-9-18(2,3)13-19/h11-12,20H,5-10H2,1-4H3