2-[(2S)-2-methyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl]ethanoic acid

Systemtic Name: 2-[(2S)-2-methyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl]ethanoic acid Openeye Name: 2-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]acetic acid CAS Name: 2-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]acetic acid IUPAC Name: 2-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-2-methyl-4-propyl-1,4-benzoxazin-6-yl]acetic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)CC(=O)O)OC(C1=O)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)CC(=O)O)O[C@H](C1=O)C

InChI

InChI=1S/C14H17NO4/c1-3-6-15-11-7-10(8-13(16)17)4-5-12(11)19-9(2)14(15)18/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,17)/t9-/m0/s1