2-[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-fluoranyl-propanoic acid

Systemtic Name: 2-[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-fluoranyl-propanoic acid Openeye Name: 2-[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-fluoro-propanoic acid CAS Name: 2-[[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxy-oxomethyl]amino]-3-fluoropropanoic acid IUPAC Name: 2-[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-fluoropropanoic acid Traditional Name: 2-[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-fluoro-propionic acid Formula: C19H14FN3O5 MolecularWeight: 383.329963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)COC(=O)NC(CF)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)COC(=O)NC(CF)C(=O)O)C#N

InChI

InChI=1S/C19H14FN3O5/c20-8-15(18(24)25)23-19(26)27-10-12-4-5-16-14(7-12)22-17(28-16)13-3-1-2-11(6-13)9-21/h1-7,15H,8,10H2,(H,23,26)(H,24,25)