3-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid

Systemtic Name: 3-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid Openeye Name: 3-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]propanoic acid CAS Name: 3-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid Traditional Name: 3-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]propionic acid Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCCC(=O)O

InChI

InChI=1S/C16H17NO6/c1-9-11-3-2-10(18)8-13(11)23-16(22)12(9)4-5-14(19)17-7-6-15(20)21/h2-3,8,18H,4-7H2,1H3,(H,17,19)(H,20,21)