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

Systemtic Name: 7-(2-ethyl-5-phenylmethoxy-4-propan-2-yloxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(5-benzyloxy-2-ethyl-4-isopropoxy-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(2-ethyl-5-phenylmethoxy-4-propan-2-yloxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(2-ethyl-5-phenylmethoxy-4-propan-2-yloxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(5-benzoxy-2-ethyl-4-isopropoxy-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OC(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OC(C)C

InChI

InChI=1S/C27H37NO3/c1-6-23-17-26(31-21(2)3)25(30-19-22-13-9-7-10-14-22)18-24(23)29-16-12-8-11-15-27(4,5)20-28/h7,9-10,13-14,17-18,21H,6,8,11-12,15-16,19H2,1-5H3