2-[3-[5-bromanyl-1-(4-chlorophenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[3-[5-bromanyl-1-(4-chlorophenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[5-bromo-1-(4-chlorophenyl)-3H-isobenzofuran-1-yl]propyl-methyl-amino]acetic acid CAS Name: 2-[3-[5-bromo-1-(4-chlorophenyl)-3H-isobenzofuran-1-yl]propyl-methylamino]acetic acid IUPAC Name: 2-[3-[5-bromo-1-(4-chlorophenyl)-3H-2-benzofuran-1-yl]propyl-methylamino]acetic acid Traditional Name: 2-[3-[5-bromo-1-(4-chlorophenyl)phthalan-1-yl]propyl-methyl-amino]acetic acid Formula: C20H21BrClNO3 MolecularWeight: 438.74264

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1(C2=C(CO1)C=C(C=C2)Br)C3=CC=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CN(CCCC1(C2=C(CO1)C=C(C=C2)Br)C3=CC=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C20H21BrClNO3/c1-23(12-19(24)25)10-2-9-20(15-3-6-17(22)7-4-15)18-8-5-16(21)11-14(18)13-26-20/h3-8,11H,2,9-10,12-13H2,1H3,(H,24,25)