3-cyano-3-phenyl-3-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-cyano-3-phenyl-3-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)carbonylamino]phenyl]propanoic acid Openeye Name: 3-cyano-3-phenyl-3-[4-[[3-(3-pyridyl)-4,5-dihydroisoxazole-5-carbonyl]amino]phenyl]propanoic acid CAS Name: 3-cyano-3-[4-[[oxo-[3-(3-pyridinyl)-4,5-dihydroisoxazol-5-yl]methyl]amino]phenyl]-3-phenylpropanoic acid IUPAC Name: 3-cyano-3-phenyl-3-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid Traditional Name: 3-cyano-3-phenyl-3-[4-[[3-(3-pyridyl)-2-isoxazoline-5-carbonyl]amino]phenyl]propionic acid Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(CC(=O)O)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1C(ON=C1C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(CC(=O)O)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O4/c26-16-25(14-23(30)31,18-6-2-1-3-7-18)19-8-10-20(11-9-19)28-24(32)22-13-21(29-33-22)17-5-4-12-27-15-17/h1-12,15,22H,13-14H2,(H,28,32)(H,30,31)