3-[4-(2-methylphenoxy)butanoylamino]benzoate

Systemtic Name: 3-[4-(2-methylphenoxy)butanoylamino]benzoate Openeye Name: 3-[4-(2-methylphenoxy)butanoylamino]benzoate CAS Name: 3-[[4-(2-methylphenoxy)-1-oxobutyl]amino]benzoate IUPAC Name: 3-[4-(2-methylphenoxy)butanoylamino]benzoate Traditional Name: 3-[4-(2-methylphenoxy)butanoylamino]benzoate Formula: C18H18NO4- MolecularWeight: 312.33982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H19NO4/c1-13-6-2-3-9-16(13)23-11-5-10-17(20)19-15-8-4-7-14(12-15)18(21)22/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20)(H,21,22)/p-1