4-[[(2S)-2-methylbutanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[(2S)-2-methylbutanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[(2S)-2-methylbutanoyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[(2S)-2-methyl-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[(2S)-2-methylbutanoyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[(2S)-2-methylbutanoyl]amino]benzoic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC(=C(C=C1)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-3-7(2)11(15)13-8-4-5-9(12(16)17)10(14)6-8/h4-7,14H,3H2,1-2H3,(H,13,15)(H,16,17)/t7-/m0/s1