4-[[bis(pyridin-2-ylmethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[bis(pyridin-2-ylmethyl)amino]methyl]benzoic acid Openeye Name: 4-[[bis(2-pyridylmethyl)amino]methyl]benzoic acid CAS Name: 4-[[bis(2-pyridinylmethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[bis(pyridin-2-ylmethyl)amino]methyl]benzoic acid Traditional Name: 4-[[bis(2-pyridylmethyl)amino]methyl]benzoic acid Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=N3

InChI

InChI=1S/C20H19N3O2/c24-20(25)17-9-7-16(8-10-17)13-23(14-18-5-1-3-11-21-18)15-19-6-2-4-12-22-19/h1-12H,13-15H2,(H,24,25)