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

Systemtic Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid Openeye Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]propanoic acid CAS Name: 2-[[3-(7-methoxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid Traditional Name: 2-[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)NC(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6/c1-9-12-5-7-14(24-4)10(2)16(12)25-18(23)13(9)6-8-15(20)19-11(3)17(21)22/h5,7,11H,6,8H2,1-4H3,(H,19,20)(H,21,22)