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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-8(2)3-6-12(16)15-9-4-5-10(13(17)18)11(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,17,18)