2-azanyl-3-[4-(1-benzofuran-5-ylmethoxy)-3,5-bis(chloranyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(1-benzofuran-5-ylmethoxy)-3,5-bis(chloranyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(benzofuran-5-ylmethoxy)-3,5-dichloro-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(5-benzofuranylmethoxy)-3,5-dichlorophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(1-benzofuran-5-ylmethoxy)-3,5-dichlorophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(benzofuran-5-ylmethoxy)-3,5-dichloro-phenyl]propionic acid Formula: C18H15Cl2NO4 MolecularWeight: 380.222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CO2)C=C1COC3=C(C=C(C=C3Cl)CC(C(=O)O)N)Cl

Isomeric SMILES

C1=CC2=C(C=CO2)C=C1COC3=C(C=C(C=C3Cl)CC(C(=O)O)N)Cl

InChI

InChI=1S/C18H15Cl2NO4/c19-13-6-11(8-15(21)18(22)23)7-14(20)17(13)25-9-10-1-2-16-12(5-10)3-4-24-16/h1-7,15H,8-9,21H2,(H,22,23)