[3-[(4-butanoyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxy]-2-oxidanyl-propyl]-tert-butyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [3-[(4-butanoyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxy]-2-oxidanyl-propyl]-tert-butyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [3-[(4-butanoyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxy]-2-hydroxy-propyl]-tert-butyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: tert-butyl-[2-hydroxy-3-[[4-(1-oxobutyl)-2,3-dihydro-1,4-benzoxazin-7-yl]oxy]propyl]ammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [3-[(4-butanoyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxy]-2-hydroxypropyl]-tert-butylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: tert-butyl-[3-[(4-butyryl-2,3-dihydro-1,4-benzoxazin-7-yl)oxy]-2-hydroxy-propyl]ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C23H34N2O8 MolecularWeight: 466.52466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCOC2=C1C=CC(=C2)OCC(C[NH2+]C(C)(C)C)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCC(=O)N1CCOC2=C1C=CC(=C2)OCC(C[NH2+]C(C)(C)C)O.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H30N2O4.C4H4O4/c1-5-6-18(23)21-9-10-24-17-11-15(7-8-16(17)21)25-13-14(22)12-20-19(2,3)4;5-3(6)1-2-4(7)8/h7-8,11,14,20,22H,5-6,9-10,12-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+