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

Systemtic Name: 4-methoxy-3-(3-methylbutanoylamino)benzoate Openeye Name: 4-methoxy-3-(3-methylbutanoylamino)benzoate CAS Name: 4-methoxy-3-[(3-methyl-1-oxobutyl)amino]benzoate IUPAC Name: 4-methoxy-3-(3-methylbutanoylamino)benzoate Traditional Name: 3-(isovalerylamino)-4-methoxy-benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-8(2)6-12(15)14-10-7-9(13(16)17)4-5-11(10)18-3/h4-5,7-8H,6H2,1-3H3,(H,14,15)(H,16,17)/p-1