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

Systemtic Name: 6-azanylidene-8-ethyl-1-methyl-3-(4-octoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-ethyl-6-imino-1-methyl-3-(4-octoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 8-ethyl-6-imino-1-methyl-3-(4-octoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-ethyl-6-imino-1-methyl-3-(4-octoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-ethyl-6-imino-1-methyl-3-(4-octoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C)CC)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C)CC)C#N)(C#N)C#N

InChI

InChI=1S/C26H32N4O3/c1-4-6-7-8-9-10-15-31-20-13-11-19(12-14-20)22-25(16-27,17-28)26(18-29)21(5-2)24(3,32-22)33-23(26)30/h11-14,21-22,30H,4-10,15H2,1-3H3