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

Systemtic Name: 3-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]propanoic acid Openeye Name: 3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoic acid CAS Name: 3-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoic acid Traditional Name: 3-[(3-phenylanthranil-5-carbonyl)amino]propionic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NCCC(=O)O

InChI

InChI=1S/C17H14N2O4/c20-15(21)8-9-18-17(22)12-6-7-14-13(10-12)16(23-19-14)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,22)(H,20,21)