(2S)-2-[(4-chloranyl-2-fluoranyl-phenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(4-chloranyl-2-fluoranyl-phenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(4-chloro-2-fluoro-benzoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(4-chloro-2-fluorophenyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(4-chloro-2-fluoro-benzoyl)amino]-4-methyl-valerate Formula: C13H14ClFNO3- MolecularWeight: 286.706563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)Cl)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)C1=C(C=C(C=C1)Cl)F

InChI

InChI=1S/C13H15ClFNO3/c1-7(2)5-11(13(18)19)16-12(17)9-4-3-8(14)6-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1