2-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]butanoic acid

Systemtic Name: 2-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]butanoic acid Openeye Name: 2-[3-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]butanoic acid CAS Name: 2-[[3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid Traditional Name: 2-[3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]butyric acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=CO3)C)OC1=O)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=CO3)C)OC1=O)C

InChI

InChI=1S/C20H21NO6/c1-4-15(19(23)24)21-18(22)6-5-12-11(3)14-7-13-10(2)9-26-16(13)8-17(14)27-20(12)25/h7-9,15H,4-6H2,1-3H3,(H,21,22)(H,23,24)