2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid

Systemtic Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid Openeye Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid CAS Name: 2-[[3-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid Traditional Name: 2-[3-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO6/c1-7-8-9-20(24(29)30)27-21(28)11-10-16-14(2)17-12-18-19(26(4,5)6)13-32-22(18)15(3)23(17)33-25(16)31/h12-13,20H,7-11H2,1-6H3,(H,27,28)(H,29,30)