1-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]cyclopropanecarboxylic acid CAS Name: 1-[[5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[6-(tert-butoxycarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]cyclopropanecarboxylic acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC3(CC3)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC3(CC3)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H21N3O6/c1-9-10(20-16(25)27-17(2,3)4)5-6-11-12(9)13(22)26-15(19-11)21-18(7-8-18)14(23)24/h5-6H,7-8H2,1-4H3,(H,19,21)(H,20,25)(H,23,24)