tert-butyl 2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoate

Systemtic Name: tert-butyl 2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoate Openeye Name: tert-butyl 2-[(tert-butoxycarbonylamino)-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoate CAS Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoate Traditional Name: 2-[(tert-butoxycarbonylamino)-(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]propionic acid tert-butyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O6/c1-12-10-9-11-14-15(12)17(26)28-18(22-14)24(23-19(27)30-21(6,7)8)13(2)16(25)29-20(3,4)5/h9-11,13H,1-8H3,(H,23,27)