(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H20FNO6 MolecularWeight: 413.395703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H20FNO6/c1-12(2)20(24-21(27)16-5-3-4-6-17(16)23)22(28)29-11-13-9-19(26)30-18-10-14(25)7-8-15(13)18/h3-10,12,20,25H,11H2,1-2H3,(H,24,27)/t20-/m0/s1