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

Systemtic Name: methyl 3-[4-(1,4-dimethyl-2-oxidanylidene-pyridin-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[4-(1,4-dimethyl-2-oxo-3-pyridyl)phenyl]propanoate CAS Name: 3-[4-(1,4-dimethyl-2-oxo-3-pyridinyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1,4-dimethyl-2-oxopyridin-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(2-keto-1,4-dimethyl-3-pyridyl)phenyl]propionic acid methyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C=C1)C)C2=CC=C(C=C2)CC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(C=C1)C)C2=CC=C(C=C2)CC(C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O5/c1-14-11-12-24(5)19(25)18(14)16-9-7-15(8-10-16)13-17(20(26)28-6)23-21(27)29-22(2,3)4/h7-12,17H,13H2,1-6H3,(H,23,27)