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

Systemtic Name: 6-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid Openeye Name: 6-[3-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid CAS Name: 6-[[3-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid Traditional Name: 6-[3-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)propanoylamino]hexanoic acid Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C25H31NO6/c1-15-16(9-10-22(27)26-11-7-5-6-8-23(28)29)24(30)32-21-13-20-18(12-17(15)21)19(14-31-20)25(2,3)4/h12-14H,5-11H2,1-4H3,(H,26,27)(H,28,29)