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

Systemtic Name: 3-[[3-methoxy-4-(methylcarbamoyl)phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-methoxy-4-(methylcarbamoyl)-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[3-methoxy-4-(methylcarbamoyl)-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[3-methoxy-4-(methylcarbamoyl)-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-methoxy-4-(methylcarbamoyl)-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-23-21(26)19-9-8-18(12-20(19)29-2)25(14-15-5-4-10-24-13-15)17-7-3-6-16(11-17)22(27)28/h3-13H,14H2,1-2H3,(H,23,26)(H,27,28)