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

Systemtic Name: 2-[2-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid CAS Name: 2-[[2-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)acetyl]amino]butyric acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CC1=C(C2=C(C=C3C(=C2)C(=CO3)C(C)(C)C)OC1=O)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CC1=C(C2=C(C=C3C(=C2)C(=CO3)C(C)(C)C)OC1=O)C

InChI

InChI=1S/C22H25NO6/c1-6-16(20(25)26)23-19(24)8-13-11(2)12-7-14-15(22(3,4)5)10-28-17(14)9-18(12)29-21(13)27/h7,9-10,16H,6,8H2,1-5H3,(H,23,24)(H,25,26)