3-[(5,6-dimethoxypyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(5,6-dimethoxypyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[(5,6-dimethoxy-2-pyridyl)-(3-pyridylmethyl)amino]benzoic acid CAS Name: 3-[(5,6-dimethoxy-2-pyridinyl)-(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 3-[(5,6-dimethoxypyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 3-[(5,6-dimethoxy-2-pyridyl)-(3-pyridylmethyl)amino]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(N=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C20H19N3O4/c1-26-17-8-9-18(22-19(17)27-2)23(13-14-5-4-10-21-12-14)16-7-3-6-15(11-16)20(24)25/h3-12H,13H2,1-2H3,(H,24,25)