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

Systemtic Name: 6-azanylidene-1-ethyl-8-methyl-3-(4-octoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 1-ethyl-6-imino-8-methyl-3-(4-octoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 1-ethyl-6-imino-8-methyl-3-(4-octoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 1-ethyl-6-imino-8-methyl-3-(4-octoxyphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 1-ethyl-6-imino-8-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)CC)C)C#N)(C#N)C#N

Isomeric SMILES

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

InChI

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