3-methyl-4-(pentanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(pentanoylamino)benzoic acid Openeye Name: 3-methyl-4-(pentanoylamino)benzoic acid CAS Name: 3-methyl-4-(1-oxopentylamino)benzoic acid IUPAC Name: 3-methyl-4-(pentanoylamino)benzoic acid Traditional Name: 3-methyl-4-(valerylamino)benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)C

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)C

InChI

InChI=1S/C13H17NO3/c1-3-4-5-12(15)14-11-7-6-10(13(16)17)8-9(11)2/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)