2-[(2S)-7-methyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-isopropyl-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-isopropyl-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)C(C)C

InChI

InChI=1S/C14H17NO4/c1-8(2)15-10-5-4-9(3)6-11(10)19-12(14(15)18)7-13(16)17/h4-6,8,12H,7H2,1-3H3,(H,16,17)/t12-/m0/s1