4-[[(2S)-2-methylbutanoyl]amino]benzoate

Systemtic Name: 4-[[(2S)-2-methylbutanoyl]amino]benzoate Openeye Name: 4-[[(2S)-2-methylbutanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-methyl-1-oxobutyl]amino]benzoate IUPAC Name: 4-[[(2S)-2-methylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-methylbutanoyl]amino]benzoate Formula: C12H14NO3- MolecularWeight: 220.24446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-3-8(2)11(14)13-10-6-4-9(5-7-10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)/p-1/t8-/m0/s1