(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C(C(C)C)NC(=O)C3=CC=CO3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CO3)O

InChI

InChI=1S/C21H21NO7/c1-11(2)18(22-20(25)16-5-4-8-27-16)21(26)28-10-13-9-17(24)29-19-12(3)15(23)7-6-14(13)19/h4-9,11,18,23H,10H2,1-3H3,(H,22,25)/t18-/m0/s1