2-methyl-2-[4-[[2-(pyridin-4-ylmethylamino)pyridin-3-yl]carbonylamino]phenyl]propanoic acid

Systemtic Name: 2-methyl-2-[4-[[2-(pyridin-4-ylmethylamino)pyridin-3-yl]carbonylamino]phenyl]propanoic acid Openeye Name: 2-methyl-2-[4-[[2-(4-pyridylmethylamino)pyridine-3-carbonyl]amino]phenyl]propanoic acid CAS Name: 2-methyl-2-[4-[[oxo-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]methyl]amino]phenyl]propanoic acid IUPAC Name: 2-methyl-2-[4-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]phenyl]propanoic acid Traditional Name: 2-methyl-2-[4-[[2-(4-pyridylmethylamino)nicotinoyl]amino]phenyl]propionic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C22H22N4O3/c1-22(2,21(28)29)16-5-7-17(8-6-16)26-20(27)18-4-3-11-24-19(18)25-14-15-9-12-23-13-10-15/h3-13H,14H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)