5-chloranyl-2-methoxy-4-(3-methylbutanoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-(3-methylbutanoylamino)benzoic acid Openeye Name: 5-chloro-2-methoxy-4-(3-methylbutanoylamino)benzoic acid CAS Name: 5-chloro-2-methoxy-4-[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-(3-methylbutanoylamino)benzoic acid Traditional Name: 5-chloro-4-(isovalerylamino)-2-methoxy-benzoic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4/c1-7(2)4-12(16)15-10-6-11(19-3)8(13(17)18)5-9(10)14/h5-7H,4H2,1-3H3,(H,15,16)(H,17,18)