2-[1-(azepan-1-yl)ethyl]-6,6-dimethyl-4-(3-nonoxypropoxy)-3-oxabicyclo[3.1.0]hexane-1,5-diol

Systemtic Name: 2-[1-(azepan-1-yl)ethyl]-6,6-dimethyl-4-(3-nonoxypropoxy)-3-oxabicyclo[3.1.0]hexane-1,5-diol Openeye Name: 2-[1-(azepan-1-yl)ethyl]-6,6-dimethyl-4-(3-nonoxypropoxy)-3-oxabicyclo[3.1.0]hexane-1,5-diol CAS Name: 2-[1-(1-azepanyl)ethyl]-6,6-dimethyl-4-(3-nonoxypropoxy)-3-oxabicyclo[3.1.0]hexane-1,5-diol IUPAC Name: 2-[1-(azepan-1-yl)ethyl]-6,6-dimethyl-4-(3-nonoxypropoxy)-3-oxabicyclo[3.1.0]hexane-1,5-diol Traditional Name: 2-[1-(azepan-1-yl)ethyl]-6,6-dimethyl-4-(3-nonoxypropoxy)-3-oxabicyclo[3.1.0]hexane-1,5-diol Formula: C27H51NO5 MolecularWeight: 469.69754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOCCCOC1C2(C(C2(C(O1)C(C)N3CCCCCC3)O)(C)C)O

Isomeric SMILES

CCCCCCCCCOCCCOC1C2(C(C2(C(O1)C(C)N3CCCCCC3)O)(C)C)O

InChI

InChI=1S/C27H51NO5/c1-5-6-7-8-9-12-15-19-31-20-16-21-32-24-27(30)25(3,4)26(27,29)23(33-24)22(2)28-17-13-10-11-14-18-28/h22-24,29-30H,5-21H2,1-4H3