boron; 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-prop-2-enyl-phenoxy]methyl]-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: boron; 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-prop-2-enyl-phenoxy]methyl]-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-[[2-allyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]quinuclidin-3-ol; boron CAS Name: boron; 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-prop-2-enylphenoxy]methyl]-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: boron; 2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-prop-2-enylphenoxy]methyl]-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-[[2-allyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]quinuclidin-3-ol; boron Formula: C20H25BN3O3 MolecularWeight: 366.2418

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Descriptors Computed from Structure

Canonical SMILES:

[B].CC1=NOC(=N1)C2=CC(=C(C=C2)OCC3C(C4CCN3CC4)O)CC=C

Isomeric SMILES

[B].CC1=NOC(=N1)C2=CC(=C(C=C2)OCC3C(C4CCN3CC4)O)CC=C

InChI

InChI=1S/C20H25N3O3.B/c1-3-4-15-11-16(20-21-13(2)22-26-20)5-6-18(15)25-12-17-19(24)14-7-9-23(17)10-8-14;/h3,5-6,11,14,17,19,24H,1,4,7-10,12H2,2H3;