ethyl 3-[3-[[(2-azanylpyridin-3-yl)amino]methyl]phenyl]benzoate

Systemtic Name: ethyl 3-[3-[[(2-azanylpyridin-3-yl)amino]methyl]phenyl]benzoate Openeye Name: ethyl 3-[3-[[(2-amino-3-pyridyl)amino]methyl]phenyl]benzoate CAS Name: 3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[[(2-aminopyridin-3-yl)amino]methyl]phenyl]benzoate Traditional Name: 3-[3-[[(2-amino-3-pyridyl)amino]methyl]phenyl]benzoic acid ethyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)CNC3=C(N=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)CNC3=C(N=CC=C3)N

InChI

InChI=1S/C21H21N3O2/c1-2-26-21(25)18-9-4-8-17(13-18)16-7-3-6-15(12-16)14-24-19-10-5-11-23-20(19)22/h3-13,24H,2,14H2,1H3,(H2,22,23)