(2R)-4-(3-methylbutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: (2R)-4-(3-methylbutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: (2R)-4-(3-methylbutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: (2R)-4-(3-methyl-1-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: (2R)-4-(3-methylbutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: (2R)-4-isovaleryl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H17NO4/c1-9(2)7-13(16)15-8-12(14(17)18)19-11-6-4-3-5-10(11)15/h3-6,9,12H,7-8H2,1-2H3,(H,17,18)/t12-/m1/s1