(2-oxidanylidenechromen-7-yl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-oxochromen-7-yl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (2-ketochromen-7-yl) ester Formula: C21H18FNO5 MolecularWeight: 383.369723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H18FNO5/c1-12(2)19(23-20(25)15-5-3-4-6-16(15)22)21(26)27-14-9-7-13-8-10-18(24)28-17(13)11-14/h3-12,19H,1-2H3,(H,23,25)/t19-/m0/s1