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

Systemtic Name: 2-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid Openeye Name: 2-[3-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid CAS Name: 2-[[3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid Traditional Name: 2-[3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]valeric acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-4-5-16(20(24)25)22-19(23)7-6-13-12(3)15-8-14-11(2)10-27-17(14)9-18(15)28-21(13)26/h8-10,16H,4-7H2,1-3H3,(H,22,23)(H,24,25)