3-pyridin-3-yl-3-[3-[[4-(pyridin-2-ylamino)phenyl]carbonylamino]phenoxy]propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[3-[[4-(pyridin-2-ylamino)phenyl]carbonylamino]phenoxy]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[3-[[4-(2-pyridylamino)benzoyl]amino]phenoxy]propanoic acid CAS Name: 3-[3-[[oxo-[4-(2-pyridinylamino)phenyl]methyl]amino]phenoxy]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[3-[[4-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[3-[[4-(2-pyridylamino)benzoyl]amino]phenoxy]propionic acid Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)OC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=NC(=C1)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)OC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C26H22N4O4/c31-25(32)16-23(19-5-4-13-27-17-19)34-22-7-3-6-21(15-22)30-26(33)18-9-11-20(12-10-18)29-24-8-1-2-14-28-24/h1-15,17,23H,16H2,(H,28,29)(H,30,33)(H,31,32)