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

Systemtic Name: 6-azanylidene-8-ethyl-3-(4-octoxyphenyl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-ethyl-6-imino-3-(4-octoxyphenyl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 8-ethyl-6-imino-3-(4-octoxyphenyl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-ethyl-6-imino-3-(4-octoxyphenyl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-ethyl-6-imino-3-(4-octoxyphenyl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O3/c1-4-7-8-9-10-11-17-33-22-14-12-21(13-15-22)24-26(18-29,19-30)27(20-31)23(6-3)28(34-24,16-5-2)35-25(27)32/h12-15,23-24,32H,4-11,16-17H2,1-3H3