4-fluoranyl-2-[[(2S)-2-methylpentanoyl]amino]benzoate

Systemtic Name: 4-fluoranyl-2-[[(2S)-2-methylpentanoyl]amino]benzoate Openeye Name: 4-fluoro-2-[[(2S)-2-methylpentanoyl]amino]benzoate CAS Name: 4-fluoro-2-[[(2S)-2-methyl-1-oxopentyl]amino]benzoate IUPAC Name: 4-fluoro-2-[[(2S)-2-methylpentanoyl]amino]benzoate Traditional Name: 4-fluoro-2-[[(2S)-2-methylpentanoyl]amino]benzoate Formula: C13H15FNO3- MolecularWeight: 252.261503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=C(C=CC(=C1)F)C(=O)[O-]

Isomeric SMILES

CCC[C@H](C)C(=O)NC1=C(C=CC(=C1)F)C(=O)[O-]

InChI

InChI=1S/C13H16FNO3/c1-3-4-8(2)12(16)15-11-7-9(14)5-6-10(11)13(17)18/h5-8H,3-4H2,1-2H3,(H,15,16)(H,17,18)/p-1/t8-/m0/s1