3-phenyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]propanoic acid Openeye Name: 3-phenyl-2-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]propanoic acid CAS Name: 2-[[oxo-[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]propanoic acid Traditional Name: 3-phenyl-2-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]propionic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C22H18N4O4/c27-21(28)18(11-14-5-2-1-3-6-14)26-22(29)24-16-8-9-19-17(12-16)25-20(30-19)15-7-4-10-23-13-15/h1-10,12-13,18H,11H2,(H,27,28)(H2,24,26,29)