3-[(2S)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2S)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2S)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propionic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CCC(=O)O

Isomeric SMILES

C[C@H]1CN(C2=C(O1)C=CC(=C2)C(=O)C)CCC(=O)O

InChI

InChI=1S/C14H17NO4/c1-9-8-15(6-5-14(17)18)12-7-11(10(2)16)3-4-13(12)19-9/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)/t9-/m0/s1