3-pyridin-3-yl-3-[6-[4-[(pyridin-2-ylamino)methyl]phenoxy]pyridin-2-yl]propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[6-[4-[(pyridin-2-ylamino)methyl]phenoxy]pyridin-2-yl]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[6-[4-[(2-pyridylamino)methyl]phenoxy]-2-pyridyl]propanoic acid CAS Name: 3-(3-pyridinyl)-3-[6-[4-[(2-pyridinylamino)methyl]phenoxy]-2-pyridinyl]propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[6-[4-[(pyridin-2-ylamino)methyl]phenoxy]pyridin-2-yl]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[6-[4-[(2-pyridylamino)methyl]phenoxy]-2-pyridyl]propionic acid Formula: C25H22N4O3 MolecularWeight: 426.46718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCC2=CC=C(C=C2)OC3=CC=CC(=N3)C(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=NC(=C1)NCC2=CC=C(C=C2)OC3=CC=CC(=N3)C(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C25H22N4O3/c30-25(31)15-21(19-5-4-13-26-17-19)22-6-3-8-24(29-22)32-20-11-9-18(10-12-20)16-28-23-7-1-2-14-27-23/h1-14,17,21H,15-16H2,(H,27,28)(H,30,31)