(2S)-3-methyl-2-[2-(2,3,5,9-tetramethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-(2,3,5,9-tetramethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(2,3,5,9-tetramethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(2,3,5,9-tetramethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(7-keto-2,3,5,9-tetramethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-3-methyl-butyrate Formula: C22H24NO6- MolecularWeight: 398.42906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CC(=O)NC(C(C)C)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CC(=O)N[C@@H](C(C)C)C(=O)[O-])C)C

InChI

InChI=1S/C22H25NO6/c1-9(2)18(21(25)26)23-17(24)8-16-11(4)15-7-14-10(3)13(6)28-19(14)12(5)20(15)29-22(16)27/h7,9,18H,8H2,1-6H3,(H,23,24)(H,25,26)/p-1/t18-/m0/s1