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

Systemtic Name: 6-azanylidene-8-ethyl-3-(4-heptoxyphenyl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-ethyl-3-(4-heptoxyphenyl)-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 8-ethyl-3-(4-heptoxyphenyl)-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-ethyl-3-(4-heptoxyphenyl)-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-ethyl-3-(4-heptoxyphenyl)-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)CCC)CC)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)CCC)CC)C#N)(C#N)C#N

InChI

InChI=1S/C27H34N4O3/c1-4-7-8-9-10-16-32-21-13-11-20(12-14-21)23-25(17-28,18-29)26(19-30)22(6-3)27(33-23,15-5-2)34-24(26)31/h11-14,22-23,31H,4-10,15-16H2,1-3H3