6-(4-ethanoyl-2-ethyl-5-phenylmethoxy-phenoxy)-2,2-dimethyl-hexanenitrile

Systemtic Name: 6-(4-ethanoyl-2-ethyl-5-phenylmethoxy-phenoxy)-2,2-dimethyl-hexanenitrile Openeye Name: 6-(4-acetyl-5-benzyloxy-2-ethyl-phenoxy)-2,2-dimethyl-hexanenitrile CAS Name: 6-(4-acetyl-2-ethyl-5-phenylmethoxyphenoxy)-2,2-dimethylhexanenitrile IUPAC Name: 6-(4-acetyl-2-ethyl-5-phenylmethoxyphenoxy)-2,2-dimethylhexanenitrile Traditional Name: 6-(4-acetyl-5-benzoxy-2-ethyl-phenoxy)-2,2-dimethyl-hexanenitrile Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3/c1-5-21-15-22(19(2)27)24(29-17-20-11-7-6-8-12-20)16-23(21)28-14-10-9-13-25(3,4)18-26/h6-8,11-12,15-16H,5,9-10,13-14,17H2,1-4H3