4-[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoic acid

Systemtic Name: 4-[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: 4-[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)butyric acid Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)O

InChI

InChI=1S/C17H23NO4/c1-4-17(2,3)12-7-8-14-13(10-12)18(15(19)11-22-14)9-5-6-16(20)21/h7-8,10H,4-6,9,11H2,1-3H3,(H,20,21)