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

Systemtic Name: 3-[(4-aminocarbonyl-3-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[4-carbamoyl-3-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[4-carbamoyl-3-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[4-carbamoyl-3-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[4-carbamoyl-3-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-28-19-11-17(7-8-18(19)20(22)25)24(13-14-4-3-9-23-12-14)16-6-2-5-15(10-16)21(26)27/h2-12H,13H2,1H3,(H2,22,25)(H,26,27)