4-[(3,4-dimethoxyphenyl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[(3,4-dimethoxyphenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 4-[3,4-dimethoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 4-[3,4-dimethoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 4-[3,4-dimethoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 4-[3,4-dimethoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-26-19-10-9-18(12-20(19)27-2)23(14-15-4-3-11-22-13-15)17-7-5-16(6-8-17)21(24)25/h3-13H,14H2,1-2H3,(H,24,25)