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

Systemtic Name: 2-[3-[5-cyano-1-(4-methoxyphenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[5-cyano-1-(4-methoxyphenyl)-3H-isobenzofuran-1-yl]propyl-methyl-amino]acetic acid CAS Name: 2-[3-[5-cyano-1-(4-methoxyphenyl)-3H-isobenzofuran-1-yl]propyl-methylamino]acetic acid IUPAC Name: 2-[3-[5-cyano-1-(4-methoxyphenyl)-3H-2-benzofuran-1-yl]propyl-methylamino]acetic acid Traditional Name: 2-[3-[5-cyano-1-(4-methoxyphenyl)phthalan-1-yl]propyl-methyl-amino]acetic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/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)