8-oxidanylidene-8-(pyridin-4-ylamino)octanoic acid

Systemtic Name: 8-oxidanylidene-8-(pyridin-4-ylamino)octanoic acid Openeye Name: 8-oxo-8-(4-pyridylamino)octanoic acid CAS Name: 8-oxo-8-(pyridin-4-ylamino)octanoic acid IUPAC Name: 8-oxo-8-(pyridin-4-ylamino)octanoic acid Traditional Name: 8-keto-8-(4-pyridylamino)caprylic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1NC(=O)CCCCCCC(=O)O

Isomeric SMILES

C1=CN=CC=C1NC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C13H18N2O3/c16-12(15-11-7-9-14-10-8-11)5-3-1-2-4-6-13(17)18/h7-10H,1-6H2,(H,17,18)(H,14,15,16)