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

Systemtic Name: 4-chloranyl-2-[[(2S)-2-methylpentanoyl]amino]benzoic acid Openeye Name: 4-chloro-2-[[(2S)-2-methylpentanoyl]amino]benzoic acid CAS Name: 4-chloro-2-[[(2S)-2-methyl-1-oxopentyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[(2S)-2-methylpentanoyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[(2S)-2-methylpentanoyl]amino]benzoic acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/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)/t8-/m0/s1