3-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[6-[(tert-butoxycarbonylamino)methyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[6-[(tert-butoxycarbonylamino)methyl]-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)O

InChI

InChI=1S/C17H22N2O6/c1-17(2,3)25-16(23)18-9-11-4-5-13-12(8-11)19(7-6-15(21)22)14(20)10-24-13/h4-5,8H,6-7,9-10H2,1-3H3,(H,18,23)(H,21,22)