4-[2-(pentanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(pentanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(pentanoylamino)ethyl]benzoic acid CAS Name: 4-[2-(1-oxopentylamino)ethyl]benzoic acid IUPAC Name: 4-[2-(pentanoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(valerylamino)ethyl]benzoic acid Formula: C14H19NO3 MolecularWeight: 249.30556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCC(=O)NCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H19NO3/c1-2-3-4-13(16)15-10-9-11-5-7-12(8-6-11)14(17)18/h5-8H,2-4,9-10H2,1H3,(H,15,16)(H,17,18)