6-[2-ethyl-4-(2-phenylmethoxyethanoyl)phenoxy]-2,2-dimethyl-hexanenitrile

Systemtic Name: 6-[2-ethyl-4-(2-phenylmethoxyethanoyl)phenoxy]-2,2-dimethyl-hexanenitrile Openeye Name: 6-[4-(2-benzyloxyacetyl)-2-ethyl-phenoxy]-2,2-dimethyl-hexanenitrile CAS Name: 6-[2-ethyl-4-(1-oxo-2-phenylmethoxyethyl)phenoxy]-2,2-dimethylhexanenitrile IUPAC Name: 6-[2-ethyl-4-(2-phenylmethoxyacetyl)phenoxy]-2,2-dimethylhexanenitrile Traditional Name: 6-[4-(2-benzoxyacetyl)-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=CC(=C1)C(=O)COCC2=CC=CC=C2)OCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)COCC2=CC=CC=C2)OCCCCC(C)(C)C#N

InChI

InChI=1S/C25H31NO3/c1-4-21-16-22(23(27)18-28-17-20-10-6-5-7-11-20)12-13-24(21)29-15-9-8-14-25(2,3)19-26/h5-7,10-13,16H,4,8-9,14-15,17-18H2,1-3H3