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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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