3-phenyl-2-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamoylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamoylamino]propanoic acid Openeye Name: 3-phenyl-2-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]propanoic acid CAS Name: 2-[[oxo-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamoylamino]propanoic acid Traditional Name: 3-phenyl-2-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]propionic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

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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=CC=NC=C4

Isomeric SMILES

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

InChI

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