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

Systemtic Name: 6-azanylidene-1-methyl-3-(3-phenylmethoxyphenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(3-benzyloxyphenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-3-(3-phenylmethoxyphenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 6-imino-1-methyl-3-(3-phenylmethoxyphenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(3-benzoxyphenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C26H24N4O3/c1-3-8-21-24(2)32-22(25(15-27,16-28)26(21,17-29)23(30)33-24)19-11-7-12-20(13-19)31-14-18-9-5-4-6-10-18/h4-7,9-13,21-22,30H,3,8,14H2,1-2H3