4-chloranyl-3-[[(2S)-2-methylbutanoyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[(2S)-2-methylbutanoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[(2S)-2-methylbutanoyl]amino]benzoic acid CAS Name: 4-chloro-3-[[(2S)-2-methyl-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[(2S)-2-methylbutanoyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[(2S)-2-methylbutanoyl]amino]benzoic acid Formula: C12H14ClNO3 MolecularWeight: 255.69746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO3/c1-3-7(2)11(15)14-10-6-8(12(16)17)4-5-9(10)13/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)/t7-/m0/s1