7-(5-ethyl-3-oxidanyl-2-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-(5-ethyl-3-oxidanyl-2-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(2-benzyloxy-5-ethyl-3-hydroxy-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(5-ethyl-3-hydroxy-2-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(5-ethyl-3-hydroxy-2-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(2-benzoxy-5-ethyl-3-hydroxy-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)O

Isomeric SMILES

CCC1=CC(=C(C(=C1)OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)O

InChI

InChI=1S/C24H31NO3/c1-4-19-15-21(26)23(28-17-20-11-7-5-8-12-20)22(16-19)27-14-10-6-9-13-24(2,3)18-25/h5,7-8,11-12,15-16,26H,4,6,9-10,13-14,17H2,1-3H3