4-chloranyl-3-(2-methylpentanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(2-methylpentanoylamino)benzoic acid Openeye Name: 4-chloro-3-(2-methylpentanoylamino)benzoic acid CAS Name: 4-chloro-3-[(2-methyl-1-oxopentyl)amino]benzoic acid IUPAC Name: 4-chloro-3-(2-methylpentanoylamino)benzoic acid Traditional Name: 4-chloro-3-(2-methylpentanoylamino)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)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-3-4-8(2)12(16)15-11-7-9(13(17)18)5-6-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)(H,17,18)