2-[3-[5-cyano-1-(4-methoxyphenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid hydrochloride

Systemtic Name: 2-[3-[5-cyano-1-(4-methoxyphenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid hydrochloride Openeye Name: 2-[3-[5-cyano-1-(4-methoxyphenyl)-3H-isobenzofuran-1-yl]propyl-methyl-amino]acetic acid hydrochloride CAS Name: 2-[3-[5-cyano-1-(4-methoxyphenyl)-3H-isobenzofuran-1-yl]propyl-methylamino]acetic acid hydrochloride IUPAC Name: 2-[3-[5-cyano-1-(4-methoxyphenyl)-3H-2-benzofuran-1-yl]propyl-methylamino]acetic acid hydrochloride Traditional Name: 2-[3-[5-cyano-1-(4-methoxyphenyl)phthalan-1-yl]propyl-methyl-amino]acetic acid hydrochloride Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)OC)CC(=O)O.Cl

Isomeric SMILES

CN(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)OC)CC(=O)O.Cl

InChI

InChI=1S/C22H24N2O4.ClH/c1-24(14-21(25)26)11-3-10-22(18-5-7-19(27-2)8-6-18)20-9-4-16(13-23)12-17(20)15-28-22;/h4-9,12H,3,10-11,14-15H2,1-2H3,(H,25,26);1H