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

Systemtic Name: 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl-methyl-amino]acetic acid CAS Name: 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl-methylamino]acetic acid IUPAC Name: 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-methylamino]acetic acid Traditional Name: 2-[3-[5-cyano-1-(4-fluorophenyl)phthalan-1-yl]propyl-methyl-amino]acetic acid Formula: C21H21FN2O3 MolecularWeight: 368.401443

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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)F)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O3/c1-24(13-20(25)26)10-2-9-21(17-4-6-18(22)7-5-17)19-8-3-15(12-23)11-16(19)14-27-21/h3-8,11H,2,9-10,13-14H2,1H3,(H,25,26)