3-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoate

Systemtic Name: 3-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoate Openeye Name: 3-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]propanoate CAS Name: 3-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]propanoate IUPAC Name: 3-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoate Traditional Name: 3-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]propionate Formula: C17H18NO6- MolecularWeight: 332.32792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NCCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NCCC(=O)[O-]

InChI

InChI=1S/C17H19NO6/c1-9-11-3-5-13(19)10(2)16(11)24-17(23)12(9)4-6-14(20)18-8-7-15(21)22/h3,5,19H,4,6-8H2,1-2H3,(H,18,20)(H,21,22)/p-1