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

Systemtic Name: 7-(5-ethyl-3-methanoyl-2-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(2-benzyloxy-5-ethyl-3-formyl-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(5-ethyl-3-formyl-2-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(5-ethyl-3-formyl-2-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(2-benzoxy-5-ethyl-3-formyl-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3/c1-4-20-15-22(17-27)24(29-18-21-11-7-5-8-12-21)23(16-20)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