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

Systemtic Name: 3-[2-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid CAS Name: 3-[[2-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]propionic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CC(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CC(=O)NCCC(=O)O

InChI

InChI=1S/C22H25NO6/c1-11-13-8-15-16(22(3,4)5)10-28-19(15)12(2)20(13)29-21(27)14(11)9-17(24)23-7-6-18(25)26/h8,10H,6-7,9H2,1-5H3,(H,23,24)(H,25,26)