6-azanylidene-1-ethyl-8-methyl-3-(3-phenylmethoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 6-azanylidene-1-ethyl-8-methyl-3-(3-phenylmethoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(3-benzyloxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 1-ethyl-6-imino-8-methyl-3-(3-phenylmethoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 1-ethyl-6-imino-8-methyl-3-(3-phenylmethoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(3-benzoxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C(C(C(=N)O1)(C(C(O2)C3=CC(=CC=C3)OCC4=CC=CC=C4)(C#N)C#N)C#N)C

Isomeric SMILES

CCC12C(C(C(=N)O1)(C(C(O2)C3=CC(=CC=C3)OCC4=CC=CC=C4)(C#N)C#N)C#N)C

InChI

InChI=1S/C25H22N4O3/c1-3-25-17(2)24(16-28,22(29)32-25)23(14-26,15-27)21(31-25)19-10-7-11-20(12-19)30-13-18-8-5-4-6-9-18/h4-12,17,21,29H,3,13H2,1-2H3