(2S)-4-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-4-oxo-butanoate CAS Name: (2S)-4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-4-oxobutanoate IUPAC Name: (2S)-4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-4-oxobutanoate Traditional Name: (2S)-4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-4-keto-butyrate Formula: C19H15FNO6- MolecularWeight: 372.323903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CC(C3=CC=C(C=C3)F)C(=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[C@@H](C3=CC=C(C=C3)F)C(=O)[O-])OCO2

InChI

InChI=1S/C19H16FNO6/c1-10(22)13-6-16-17(27-9-26-16)8-15(13)21-18(23)7-14(19(24)25)11-2-4-12(20)5-3-11/h2-6,8,14H,7,9H2,1H3,(H,21,23)(H,24,25)/p-1/t14-/m0/s1