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

Systemtic Name: 7-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]-2,2-dimethyl-enanthonitrile Formula: C23H28FNO2 MolecularWeight: 369.472323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCCCC(C)(C)C#N

InChI

InChI=1S/C23H28FNO2/c1-4-17-14-20(18-8-10-19(24)11-9-18)21(26)15-22(17)27-13-7-5-6-12-23(2,3)16-25/h8-11,14-15,26H,4-7,12-13H2,1-3H3