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

Systemtic Name: 3-[(5-methoxy-6-propan-2-yloxy-pyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[(6-isopropoxy-5-methoxy-2-pyridyl)-(3-pyridylmethyl)amino]benzoic acid CAS Name: 3-[(5-methoxy-6-propan-2-yloxy-2-pyridinyl)-(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 3-[(5-methoxy-6-propan-2-yloxypyridin-2-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 3-[(6-isopropoxy-5-methoxy-2-pyridyl)-(3-pyridylmethyl)amino]benzoic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=N1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

CC(C)OC1=C(C=CC(=N1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C22H23N3O4/c1-15(2)29-21-19(28-3)9-10-20(24-21)25(14-16-6-5-11-23-13-16)18-8-4-7-17(12-18)22(26)27/h4-13,15H,14H2,1-3H3,(H,26,27)