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

Systemtic Name: 2-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid Openeye Name: 2-[3-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid CAS Name: 2-[[3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid Traditional Name: 2-[3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-4-5-6-17(21(25)26)23-20(24)8-7-14-13(3)16-9-15-12(2)11-28-18(15)10-19(16)29-22(14)27/h9-11,17H,4-8H2,1-3H3,(H,23,24)(H,25,26)