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

Systemtic Name: 7-[2-ethyl-4-(3-methoxyphenyl)-5-oxidanyl-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[2-ethyl-5-hydroxy-4-(3-methoxyphenyl)phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-5-hydroxy-4-(3-methoxyphenyl)phenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[2-ethyl-5-hydroxy-4-(3-methoxyphenyl)phenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[2-ethyl-5-hydroxy-4-(3-methoxyphenyl)phenoxy]-2,2-dimethyl-enanthonitrile Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3/c1-5-18-15-21(19-10-9-11-20(14-19)27-4)22(26)16-23(18)28-13-8-6-7-12-24(2,3)17-25/h9-11,14-16,26H,5-8,12-13H2,1-4H3