4-[2-methyl-2-[[2-oxidanyl-2-(5-oxidanyl-3-oxidanylidene-4H-1,4-benzoxazin-8-yl)ethyl]amino]propyl]benzoic acid

Systemtic Name: 4-[2-methyl-2-[[2-oxidanyl-2-(5-oxidanyl-3-oxidanylidene-4H-1,4-benzoxazin-8-yl)ethyl]amino]propyl]benzoic acid Openeye Name: 4-[2-[[2-hydroxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methyl-propyl]benzoic acid CAS Name: 4-[2-[[2-hydroxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]benzoic acid IUPAC Name: 4-[2-[[2-hydroxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]benzoic acid Traditional Name: 4-[2-[[2-hydroxy-2-(5-hydroxy-3-keto-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methyl-propyl]benzoic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)C(=O)O)NCC(C2=C3C(=C(C=C2)O)NC(=O)CO3)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)C(=O)O)NCC(C2=C3C(=C(C=C2)O)NC(=O)CO3)O

InChI

InChI=1S/C21H24N2O6/c1-21(2,9-12-3-5-13(6-4-12)20(27)28)22-10-16(25)14-7-8-15(24)18-19(14)29-11-17(26)23-18/h3-8,16,22,24-25H,9-11H2,1-2H3,(H,23,26)(H,27,28)