4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 4-[2-cyanoethyl(3-pyridylmethyl)amino]benzoic acid CAS Name: 4-[2-cyanoethyl(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 4-[2-cyanoethyl(3-pyridylmethyl)amino]benzoic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C2=CC=C(C=C2)C(=O)O

InChI

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