methyl 3-(7-bromanyl-2-pyridin-4-yl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-(7-bromanyl-2-pyridin-4-yl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 3-[7-bromo-2-(4-pyridyl)-1,3-benzoxazol-5-yl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-(7-bromo-2-pyridin-4-yl-1,3-benzoxazol-5-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(7-bromo-2-pyridin-4-yl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-[7-bromo-2-(4-pyridyl)-1,3-benzoxazol-5-yl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC2=C(C(=C1)Br)OC(=N2)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC2=C(C(=C1)Br)OC(=N2)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C21H22BrN3O5/c1-21(2,3)30-20(27)25-16(19(26)28-4)11-12-9-14(22)17-15(10-12)24-18(29-17)13-5-7-23-8-6-13/h5-10,16H,11H2,1-4H3,(H,25,27)