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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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