11-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]undecanoic acid

Systemtic Name: 11-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]undecanoic acid Openeye Name: 11-[[(cyanoamino)-(4-pyridylamino)methylene]amino]undecanoic acid CAS Name: 11-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]undecanoic acid IUPAC Name: 11-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]undecanoic acid Traditional Name: 11-[[(cyanoamino)-(4-pyridylamino)methylene]amino]undecanoic acid Formula: C18H27N5O2 MolecularWeight: 345.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1NC(=NCCCCCCCCCCC(=O)O)NC#N

Isomeric SMILES

C1=CN=CC=C1NC(=NCCCCCCCCCCC(=O)O)NC#N

InChI

InChI=1S/C18H27N5O2/c19-15-22-18(23-16-10-13-20-14-11-16)21-12-8-6-4-2-1-3-5-7-9-17(24)25/h10-11,13-14H,1-9,12H2,(H,24,25)(H2,20,21,22,23)