methyl 3-[4-(5-bromanyl-1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-[4-(5-bromanyl-1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 3-[4-(5-bromo-1-methyl-2-oxo-3-pyridyl)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[4-(5-bromo-1-methyl-2-oxo-3-pyridinyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-bromo-1-methyl-2-oxopyridin-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-[4-(5-bromo-2-keto-1-methyl-3-pyridyl)phenyl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC(=CN(C2=O)C)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC(=CN(C2=O)C)Br)C(=O)OC

InChI

InChI=1S/C21H25BrN2O5/c1-21(2,3)29-20(27)23-17(19(26)28-5)10-13-6-8-14(9-7-13)16-11-15(22)12-24(4)18(16)25/h6-9,11-12,17H,10H2,1-5H3,(H,23,27)