4-[(3-ethoxy-4-methoxy-phenyl)-pyridin-3-ylcarbonyl-amino]benzoic acid

Systemtic Name: 4-[(3-ethoxy-4-methoxy-phenyl)-pyridin-3-ylcarbonyl-amino]benzoic acid Openeye Name: 4-[3-ethoxy-4-methoxy-N-(pyridine-3-carbonyl)anilino]benzoic acid CAS Name: 4-(3-ethoxy-4-methoxy-N-[oxo(3-pyridinyl)methyl]anilino)benzoic acid IUPAC Name: 4-[3-ethoxy-4-methoxy-N-(pyridine-3-carbonyl)anilino]benzoic acid Traditional Name: 4-(3-ethoxy-4-methoxy-N-nicotinoyl-anilino)benzoic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N(C2=CC=C(C=C2)C(=O)O)C(=O)C3=CN=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)N(C2=CC=C(C=C2)C(=O)O)C(=O)C3=CN=CC=C3)OC

InChI

InChI=1S/C22H20N2O5/c1-3-29-20-13-18(10-11-19(20)28-2)24(21(25)16-5-4-12-23-14-16)17-8-6-15(7-9-17)22(26)27/h4-14H,3H2,1-2H3,(H,26,27)