2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]hexanoic acid

Systemtic Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]hexanoic acid Openeye Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]hexanoic acid CAS Name: 2-[[3-(7-methoxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]hexanoic acid Traditional Name: 2-[3-(2-keto-7-methoxy-4,8-dimethyl-chromen-3-yl)propanoylamino]hexanoic acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6/c1-5-6-7-16(20(24)25)22-18(23)11-9-15-12(2)14-8-10-17(27-4)13(3)19(14)28-21(15)26/h8,10,16H,5-7,9,11H2,1-4H3,(H,22,23)(H,24,25)