methyl 4-[2-(5-azanyl-6-cyano-pyridin-2-yl)ethyl]benzoate

Systemtic Name: methyl 4-[2-(5-azanyl-6-cyano-pyridin-2-yl)ethyl]benzoate Openeye Name: methyl 4-[2-(5-amino-6-cyano-2-pyridyl)ethyl]benzoate CAS Name: 4-[2-(5-amino-6-cyano-2-pyridinyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-amino-6-cyanopyridin-2-yl)ethyl]benzoate Traditional Name: 4-[2-(5-amino-6-cyano-2-pyridyl)ethyl]benzoic acid methyl ester Formula: C16H15N3O2 MolecularWeight: 281.3092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC2=NC(=C(C=C2)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2=NC(=C(C=C2)N)C#N

InChI

InChI=1S/C16H15N3O2/c1-21-16(20)12-5-2-11(3-6-12)4-7-13-8-9-14(18)15(10-17)19-13/h2-3,5-6,8-9H,4,7,18H2,1H3