2-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoic acid

Systemtic Name: 2-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(5-methoxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]butanoic acid CAS Name: 2-[[2-(5-methoxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-keto-5-methoxy-4,7-dimethyl-chromen-3-yl)acetyl]amino]butyric acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CC1=C(C2=C(C=C(C=C2OC)C)OC1=O)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CC1=C(C2=C(C=C(C=C2OC)C)OC1=O)C

InChI

InChI=1S/C18H21NO6/c1-5-12(17(21)22)19-15(20)8-11-10(3)16-13(24-4)6-9(2)7-14(16)25-18(11)23/h6-7,12H,5,8H2,1-4H3,(H,19,20)(H,21,22)