7-(2-ethyl-4-methanoyl-5-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-(2-ethyl-4-methanoyl-5-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(5-benzyloxy-2-ethyl-4-formyl-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(2-ethyl-4-formyl-5-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(2-ethyl-4-formyl-5-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(5-benzoxy-2-ethyl-4-formyl-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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