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

Systemtic Name: 7-azanylidene-8-ethyl-3-(4-octoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 8-ethyl-7-imino-3-(4-octoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 8-ethyl-7-imino-3-(4-octoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 8-ethyl-7-imino-3-(4-octoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 8-ethyl-7-imino-3-(4-octoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C31H34N4O3 MolecularWeight: 510.62666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C4=CC=CC=C4)CC)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C4=CC=CC=C4)CC)C#N)(C#N)C#N

InChI

InChI=1S/C31H34N4O3/c1-3-5-6-7-8-12-19-36-25-17-15-23(16-18-25)27-29(20-32,21-33)30(22-34)26(4-2)31(37-27,38-28(30)35)24-13-10-9-11-14-24/h9-11,13-18,26-27,35H,3-8,12,19H2,1-2H3