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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)-pyridin-3-ylcarbonyl-amino]benzoic acid Openeye Name: 3-[3,4-dimethoxy-N-(pyridine-3-carbonyl)anilino]benzoic acid CAS Name: 3-(3,4-dimethoxy-N-[oxo(3-pyridinyl)methyl]anilino)benzoic acid IUPAC Name: 3-[3,4-dimethoxy-N-(pyridine-3-carbonyl)anilino]benzoic acid Traditional Name: 3-(3,4-dimethoxy-N-nicotinoyl-anilino)benzoic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5/c1-27-18-9-8-17(12-19(18)28-2)23(20(24)15-6-4-10-22-13-15)16-7-3-5-14(11-16)21(25)26/h3-13H,1-2H3,(H,25,26)