2-[(phenylmethyl)carbamoyl]hexanoic acid

Systemtic Name: 2-[(phenylmethyl)carbamoyl]hexanoic acid Openeye Name: 2-(benzylcarbamoyl)hexanoic acid CAS Name: 2-[oxo-[(phenylmethyl)amino]methyl]hexanoic acid IUPAC Name: 2-(benzylcarbamoyl)hexanoic acid Traditional Name: 2-(benzylcarbamoyl)hexanoic acid Formula: C14H19NO3 MolecularWeight: 249.30556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCC(C(=O)NCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H19NO3/c1-2-3-9-12(14(17)18)13(16)15-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,15,16)(H,17,18)