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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C22H20FNO5 MolecularWeight: 397.396303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H20FNO5/c1-12(2)20(24-21(26)16-6-4-5-7-17(16)23)22(27)28-14-8-9-15-13(3)10-19(25)29-18(15)11-14/h4-12,20H,1-3H3,(H,24,26)/t20-/m0/s1