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

Systemtic Name: 7-[4-(4-dimethylaminophenyl)-2-ethyl-5-oxidanyl-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[4-(4-dimethylaminophenyl)-2-ethyl-5-hydroxy-phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[4-(4-dimethylaminophenyl)-2-ethyl-5-hydroxyphenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[4-(4-dimethylaminophenyl)-2-ethyl-5-hydroxyphenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[4-(4-dimethylaminophenyl)-2-ethyl-5-hydroxy-phenoxy]-2,2-dimethyl-enanthonitrile Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-6-19-16-22(20-10-12-21(13-11-20)27(4)5)23(28)17-24(19)29-15-9-7-8-14-25(2,3)18-26/h10-13,16-17,28H,6-9,14-15H2,1-5H3