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

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

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCCC(=O)O)C)C(=C1)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCCC(=O)O)C)C(=C1)OC

InChI

InChI=1S/C18H21NO6/c1-10-7-13(24-3)17-11(2)12(18(23)25-14(17)8-10)9-15(20)19-6-4-5-16(21)22/h7-8H,4-6,9H2,1-3H3,(H,19,20)(H,21,22)