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

Systemtic Name: 7-azanylidene-8-ethyl-3-(4-hexoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 8-ethyl-3-(4-hexoxyphenyl)-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 8-ethyl-3-(4-hexoxyphenyl)-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 8-ethyl-3-(4-hexoxyphenyl)-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 8-ethyl-3-(4-hexoxyphenyl)-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C4=CC=CC=C4)CC)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCOC1=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/C29H30N4O3/c1-3-5-6-10-17-34-23-15-13-21(14-16-23)25-27(18-30,19-31)28(20-32)24(4-2)29(35-25,36-26(28)33)22-11-8-7-9-12-22/h7-9,11-16,24-25,33H,3-6,10,17H2,1-2H3