3-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid

Systemtic Name: 3-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid Openeye Name: 3-[3-(7-methoxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]propanoic acid CAS Name: 3-[[3-(7-methoxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid Traditional Name: 3-[3-(2-keto-7-methoxy-4,8-dimethyl-chromen-3-yl)propanoylamino]propionic acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)NCCC(=O)O

InChI

InChI=1S/C18H21NO6/c1-10-12-4-6-14(24-3)11(2)17(12)25-18(23)13(10)5-7-15(20)19-9-8-16(21)22/h4,6H,5,7-9H2,1-3H3,(H,19,20)(H,21,22)