4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]butanoate

Systemtic Name: 4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]butanoate Openeye Name: 4-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoate CAS Name: 4-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]butanoate IUPAC Name: 4-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoate Traditional Name: 4-[(3-phenylanthranil-5-carbonyl)amino]butyrate Formula: C18H15N2O4- MolecularWeight: 323.3227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C18H16N2O4/c21-16(22)7-4-10-19-18(23)13-8-9-15-14(11-13)17(24-20-15)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,23)(H,21,22)/p-1