[3-[4-(6-azanylpyridin-2-yl)-2-ethyl-5-methoxy-phenoxy]azetidin-1-yl]carbonylboron

Systemtic Name: [3-[4-(6-azanylpyridin-2-yl)-2-ethyl-5-methoxy-phenoxy]azetidin-1-yl]carbonylboron Openeye Name: [3-[4-(6-amino-2-pyridyl)-2-ethyl-5-methoxy-phenoxy]azetidine-1-carbonyl]boron CAS Name: [[3-[4-(6-amino-2-pyridinyl)-2-ethyl-5-methoxyphenoxy]-1-azetidinyl]-oxomethyl]boron IUPAC Name: [3-[4-(6-aminopyridin-2-yl)-2-ethyl-5-methoxyphenoxy]azetidine-1-carbonyl]boron Traditional Name: [3-[4-(6-amino-2-pyridyl)-2-ethyl-5-methoxy-phenoxy]azetidine-1-carbonyl]boron Formula: C18H20BN3O3 MolecularWeight: 337.1807

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)N1CC(C1)OC2=C(C=C(C(=C2)OC)C3=NC(=CC=C3)N)CC

Isomeric SMILES

[B]C(=O)N1CC(C1)OC2=C(C=C(C(=C2)OC)C3=NC(=CC=C3)N)CC

InChI

InChI=1S/C18H20BN3O3/c1-3-11-7-13(14-5-4-6-17(20)21-14)16(24-2)8-15(11)25-12-9-22(10-12)18(19)23/h4-8,12H,3,9-10H2,1-2H3,(H2,20,21)