3-fluoranyl-4-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoic acid

Systemtic Name: 3-fluoranyl-4-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoic acid Openeye Name: 3-fluoro-4-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoic acid CAS Name: 3-fluoro-4-[[2-[3-(methoxymethoxy)-1-pyrrolidinyl]-1-phenylethyl]-methylamino]benzoic acid IUPAC Name: 3-fluoro-4-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]benzoic acid Traditional Name: 3-fluoro-4-[[2-[3-(methoxymethoxy)pyrrolidino]-1-phenyl-ethyl]-methyl-amino]benzoic acid Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)C(=O)O)F)C(CN2CCC(C2)OCOC)C3=CC=CC=C3

Isomeric SMILES

CN(C1=C(C=C(C=C1)C(=O)O)F)C(CN2CCC(C2)OCOC)C3=CC=CC=C3

InChI

InChI=1S/C22H27FN2O4/c1-24(20-9-8-17(22(26)27)12-19(20)23)21(16-6-4-3-5-7-16)14-25-11-10-18(13-25)29-15-28-2/h3-9,12,18,21H,10-11,13-15H2,1-2H3,(H,26,27)