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

Systemtic Name: 6-azanylidene-1-methyl-8-(phenylmethyl)-3-undecyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-benzyl-6-imino-1-methyl-3-undecyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-8-(phenylmethyl)-3-undecyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-benzyl-6-imino-1-methyl-3-undecyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-benzyl-6-imino-1-methyl-3-undecyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(C2(C(C(O1)(OC2=N)C)CC3=CC=CC=C3)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCCCCCCC1C(C2(C(C(O1)(OC2=N)C)CC3=CC=CC=C3)C#N)(C#N)C#N

InChI

InChI=1S/C28H36N4O2/c1-3-4-5-6-7-8-9-10-14-17-24-27(19-29,20-30)28(21-31)23(18-22-15-12-11-13-16-22)26(2,33-24)34-25(28)32/h11-13,15-16,23-24,32H,3-10,14,17-18H2,1-2H3