7-[2-ethyl-4-(3-fluorophenyl)-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-[2-ethyl-4-(3-fluorophenyl)-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[5-benzyloxy-2-ethyl-4-(3-fluorophenyl)phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-4-(3-fluorophenyl)-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[2-ethyl-4-(3-fluorophenyl)-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[5-benzoxy-2-ethyl-4-(3-fluorophenyl)phenoxy]-2,2-dimethyl-enanthonitrile Formula: C30H34FNO2 MolecularWeight: 459.594863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC(=CC=C2)F)OCC3=CC=CC=C3)OCCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC(=CC=C2)F)OCC3=CC=CC=C3)OCCCCCC(C)(C)C#N

InChI

InChI=1S/C30H34FNO2/c1-4-24-19-27(25-14-11-15-26(31)18-25)29(34-21-23-12-7-5-8-13-23)20-28(24)33-17-10-6-9-16-30(2,3)22-32/h5,7-8,11-15,18-20H,4,6,9-10,16-17,21H2,1-3H3