2-[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 2-[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 2-[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid CAS Name: 2-[[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxy-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 2-[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 2-[[2-(3-cyanophenyl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propionic acid Formula: C25H18FN3O5 MolecularWeight: 459.425923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)O)C#N

InChI

InChI=1S/C25H18FN3O5/c26-19-7-4-15(5-8-19)11-21(24(30)31)29-25(32)33-14-17-6-9-22-20(12-17)28-23(34-22)18-3-1-2-16(10-18)13-27/h1-10,12,21H,11,14H2,(H,29,32)(H,30,31)