2-[[5-(1,3-benzodioxol-5-yl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)benzofuran-2-yl]methoxycarbonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-2-benzofuranyl]methoxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)benzofuran-2-yl]methoxycarbonylamino]-3-phenyl-propionic acid Formula: C26H21NO7 MolecularWeight: 459.44744

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC4=C(C=C3)OC(=C4)COC(=O)NC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC4=C(C=C3)OC(=C4)COC(=O)NC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H21NO7/c28-25(29)21(10-16-4-2-1-3-5-16)27-26(30)31-14-20-12-19-11-17(6-8-22(19)34-20)18-7-9-23-24(13-18)33-15-32-23/h1-9,11-13,21H,10,14-15H2,(H,27,30)(H,28,29)