3-[(4-ethanoyl-3-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(4-ethanoyl-3-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[4-acetyl-3-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[4-acetyl-3-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[4-acetyl-3-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[4-acetyl-3-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4/c1-15(25)20-9-8-19(12-21(20)28-2)24(14-16-5-4-10-23-13-16)18-7-3-6-17(11-18)22(26)27/h3-13H,14H2,1-2H3,(H,26,27)