4-[[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2R)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2R)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H19NO5/c1-3-17(22)15-8-9-18-16(10-15)21(19(23)12(2)26-18)11-13-4-6-14(7-5-13)20(24)25/h4-10,12H,3,11H2,1-2H3,(H,24,25)/t12-/m1/s1