2-[4-[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-bis(fluoranyl)pyridin-4-yl]oxypiperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-bis(fluoranyl)pyridin-4-yl]oxypiperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-difluoro-4-pyridyl]oxy]-1-piperidyl]acetic acid CAS Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-difluoro-4-pyridinyl]oxy]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-difluoropyridin-4-yl]oxypiperidin-1-yl]acetic acid Traditional Name: 2-[4-[[2-(2-amidinophenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-difluoro-4-pyridyl]oxy]piperidino]acetic acid Formula: C27H29F2N5O5 MolecularWeight: 541.546466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC=C1)OC2=NC(=C(C(=C2F)OC3CCN(CC3)CC(=O)O)F)OC4=CC=CC=C4C(=N)N

Isomeric SMILES

CN(C)C1=CC(=CC=C1)OC2=NC(=C(C(=C2F)OC3CCN(CC3)CC(=O)O)F)OC4=CC=CC=C4C(=N)N

InChI

InChI=1S/C27H29F2N5O5/c1-33(2)16-6-5-7-18(14-16)38-26-22(28)24(37-17-10-12-34(13-11-17)15-21(35)36)23(29)27(32-26)39-20-9-4-3-8-19(20)25(30)31/h3-9,14,17H,10-13,15H2,1-2H3,(H3,30,31)(H,35,36)