methyl 4-[2-(6-azanyl-5-cyano-pyridin-3-yl)ethyl]benzoate

Systemtic Name: methyl 4-[2-(6-azanyl-5-cyano-pyridin-3-yl)ethyl]benzoate Openeye Name: methyl 4-[2-(6-amino-5-cyano-3-pyridyl)ethyl]benzoate CAS Name: 4-[2-(6-amino-5-cyano-3-pyridinyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-amino-5-cyanopyridin-3-yl)ethyl]benzoate Traditional Name: 4-[2-(6-amino-5-cyano-3-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=CN=C(C(=C2)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c1-21-16(20)13-6-4-11(5-7-13)2-3-12-8-14(9-17)15(18)19-10-12/h4-8,10H,2-3H2,1H3,(H2,18,19)