(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C20H18BrNO6 MolecularWeight: 448.26402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)Br)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)Br)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H18BrNO6/c1-11(2)18(22-19(24)15-4-3-7-26-15)20(25)27-10-12-8-17(23)28-16-9-13(21)5-6-14(12)16/h3-9,11,18H,10H2,1-2H3,(H,22,24)