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

Systemtic Name: 4-[(3-ethoxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 4-[3-ethoxy-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 4-[3-ethoxy-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 4-[3-ethoxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 4-[3-ethoxy-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H22N2O4/c1-3-28-21-13-19(10-11-20(21)27-2)24(15-16-5-4-12-23-14-16)18-8-6-17(7-9-18)22(25)26/h4-14H,3,15H2,1-2H3,(H,25,26)