3-[2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]propanoic acid

Systemtic Name: 3-[2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid CAS Name: 3-[[2-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]propionic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCCC(=O)O)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCCC(=O)O)C

InChI

InChI=1S/C18H17NO6/c1-9-8-24-14-7-15-12(5-11(9)14)10(2)13(18(23)25-15)6-16(20)19-4-3-17(21)22/h5,7-8H,3-4,6H2,1-2H3,(H,19,20)(H,21,22)