2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: 2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]benzoate Openeye Name: 2-[2-cyanoethyl(3-pyridylmethyl)amino]benzoate CAS Name: 2-[2-cyanoethyl(3-pyridinylmethyl)amino]benzoate IUPAC Name: 2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 2-[2-cyanoethyl(3-pyridylmethyl)amino]benzoate Formula: C16H14N3O2- MolecularWeight: 280.30126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C16H15N3O2/c17-8-4-10-19(12-13-5-3-9-18-11-13)15-7-2-1-6-14(15)16(20)21/h1-3,5-7,9,11H,4,10,12H2,(H,20,21)/p-1