3-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanoic acid

Systemtic Name: 3-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]propanoic acid CAS Name: 3-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]amino]propionic acid Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO6/c1-8-5-11(18)15-9(2)10(16(22)23-12(15)6-8)7-13(19)17-4-3-14(20)21/h5-6,18H,3-4,7H2,1-2H3,(H,17,19)(H,20,21)