2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoic acid

Systemtic Name: 2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoic acid Openeye Name: 2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]butanoic acid CAS Name: 2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoic acid Traditional Name: 2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]butyric acid Formula: C17H19NO6 MolecularWeight: 333.33586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C

InChI

InChI=1S/C17H19NO6/c1-3-13(16(21)22)18-15(20)7-6-12-9(2)11-5-4-10(19)8-14(11)24-17(12)23/h4-5,8,13,19H,3,6-7H2,1-2H3,(H,18,20)(H,21,22)