3-(hexanoylamino)-2-methyl-benzoate

Systemtic Name: 3-(hexanoylamino)-2-methyl-benzoate Openeye Name: 3-(hexanoylamino)-2-methyl-benzoate CAS Name: 2-methyl-3-(1-oxohexylamino)benzoate IUPAC Name: 3-(hexanoylamino)-2-methylbenzoate Traditional Name: 3-(caproylamino)-2-methyl-benzoate Formula: C14H18NO3- MolecularWeight: 248.29762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC(=C1C)C(=O)[O-]

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC(=C1C)C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-3-4-5-9-13(16)15-12-8-6-7-11(10(12)2)14(17)18/h6-8H,3-5,9H2,1-2H3,(H,15,16)(H,17,18)/p-1