3-[(6-ethoxy-5-methoxy-pyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(6-ethoxy-5-methoxy-pyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[(6-ethoxy-5-methoxy-2-pyridyl)-(3-pyridylmethyl)amino]benzoic acid CAS Name: 3-[(6-ethoxy-5-methoxy-2-pyridinyl)-(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 3-[(6-ethoxy-5-methoxypyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 3-[(6-ethoxy-5-methoxy-2-pyridyl)-(3-pyridylmethyl)amino]benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=N1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=N1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C21H21N3O4/c1-3-28-20-18(27-2)9-10-19(23-20)24(14-15-6-5-11-22-13-15)17-8-4-7-16(12-17)21(25)26/h4-13H,3,14H2,1-2H3,(H,25,26)