3-chloranyl-4-methoxy-5-(3-methylbutanoylamino)benzoate

Systemtic Name: 3-chloranyl-4-methoxy-5-(3-methylbutanoylamino)benzoate Openeye Name: 3-chloro-4-methoxy-5-(3-methylbutanoylamino)benzoate CAS Name: 3-chloro-4-methoxy-5-[(3-methyl-1-oxobutyl)amino]benzoate IUPAC Name: 3-chloro-4-methoxy-5-(3-methylbutanoylamino)benzoate Traditional Name: 3-chloro-5-(isovalerylamino)-4-methoxy-benzoate Formula: C13H15ClNO4- MolecularWeight: 284.7155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C(=CC(=C1)C(=O)[O-])Cl)OC

Isomeric SMILES

CC(C)CC(=O)NC1=C(C(=CC(=C1)C(=O)[O-])Cl)OC

InChI

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