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

Systemtic Name: 7-azanylidene-8-methyl-3-(4-octoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 7-imino-8-methyl-3-(4-octoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 7-imino-8-methyl-3-(4-octoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 7-imino-8-methyl-3-(4-octoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 7-imino-8-methyl-3-(4-octoxyphenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C30H32N4O3 MolecularWeight: 496.60008

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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)C)C#N)(C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O3/c1-3-4-5-6-7-11-18-35-25-16-14-23(15-17-25)26-28(19-31,20-32)29(21-33)22(2)30(36-26,37-27(29)34)24-12-9-8-10-13-24/h8-10,12-17,22,26,34H,3-7,11,18H2,1-2H3