8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octanoic acid

Systemtic Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octanoic acid Openeye Name: 8-[[(cyanoamino)-(4-pyridylamino)methylene]amino]octanoic acid CAS Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octanoic acid IUPAC Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octanoic acid Traditional Name: 8-[[(cyanoamino)-(4-pyridylamino)methylene]amino]caprylic acid Formula: C15H21N5O2 MolecularWeight: 303.35954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O2/c16-12-19-15(20-13-7-10-17-11-8-13)18-9-5-3-1-2-4-6-14(21)22/h7-8,10-11H,1-6,9H2,(H,21,22)(H2,17,18,19,20)