3-(4-fluorophenyl)-2-[[5-(phenylmethyl)-1-benzofuran-2-yl]methoxycarbonylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-2-[[5-(phenylmethyl)-1-benzofuran-2-yl]methoxycarbonylamino]propanoic acid Openeye Name: 2-[(5-benzylbenzofuran-2-yl)methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-(4-fluorophenyl)-2-[[oxo-[[5-(phenylmethyl)-2-benzofuranyl]methoxy]methyl]amino]propanoic acid IUPAC Name: 2-[(5-benzyl-1-benzofuran-2-yl)methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 2-[(5-benzylbenzofuran-2-yl)methoxycarbonylamino]-3-(4-fluorophenyl)propionic acid Formula: C26H22FNO5 MolecularWeight: 447.454983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(C=C2)OC(=C3)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(C=C2)OC(=C3)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C26H22FNO5/c27-21-9-6-18(7-10-21)14-23(25(29)30)28-26(31)32-16-22-15-20-13-19(8-11-24(20)33-22)12-17-4-2-1-3-5-17/h1-11,13,15,23H,12,14,16H2,(H,28,31)(H,29,30)