(6-methoxy-8-oxidanyl-1-oxidanylidene-isochromen-3-yl)methyl (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: (6-methoxy-8-oxidanyl-1-oxidanylidene-isochromen-3-yl)methyl (2S)-2-azanyl-3-methyl-butanoate Openeye Name: (8-hydroxy-6-methoxy-1-oxo-isochromen-3-yl)methyl (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid (8-hydroxy-6-methoxy-1-oxo-2-benzopyran-3-yl)methyl ester IUPAC Name: (8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)methyl (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid (8-hydroxy-1-keto-6-methoxy-isochromen-3-yl)methyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=CC(=CC(=C2C(=O)O1)O)OC)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC2=CC(=CC(=C2C(=O)O1)O)OC)N

InChI

InChI=1S/C16H19NO6/c1-8(2)14(17)16(20)22-7-11-5-9-4-10(21-3)6-12(18)13(9)15(19)23-11/h4-6,8,14,18H,7,17H2,1-3H3/t14-/m0/s1