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

Systemtic Name: 6-azanylidene-8-ethyl-3-(4-hexoxyphenyl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-ethyl-3-(4-hexoxyphenyl)-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 8-ethyl-3-(4-hexoxyphenyl)-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-ethyl-3-(4-hexoxyphenyl)-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-ethyl-3-(4-hexoxyphenyl)-6-imino-1-propyl-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:

CCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)CCC)CC)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)CCC)CC)C#N)(C#N)C#N

InChI

InChI=1S/C26H32N4O3/c1-4-7-8-9-15-31-20-12-10-19(11-13-20)22-24(16-27,17-28)25(18-29)21(6-3)26(32-22,14-5-2)33-23(25)30/h10-13,21-22,30H,4-9,14-15H2,1-3H3