1-[2-[2-carbamimidoyl-4,6-bis(fluoranyl)phenoxy]-5-(1-methylimidazol-2-yl)-3-phenoxy-pyridin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2-carbamimidoyl-4,6-bis(fluoranyl)phenoxy]-5-(1-methylimidazol-2-yl)-3-phenoxy-pyridin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2-carbamimidoyl-4,6-difluoro-phenoxy)-5-(1-methylimidazol-2-yl)-3-phenoxy-4-pyridyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(2-carbamimidoyl-4,6-difluorophenoxy)-5-(1-methyl-2-imidazolyl)-3-phenoxy-4-pyridinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-carbamimidoyl-4,6-difluorophenoxy)-5-(1-methylimidazol-2-yl)-3-phenoxypyridin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(2-amidino-4,6-difluoro-phenoxy)-5-(1-methylimidazol-2-yl)-3-phenoxy-4-pyridyl]nipecotic acid Formula: C28H26F2N6O4 MolecularWeight: 548.540646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=CN=C(C(=C2N3CCCC(C3)C(=O)O)OC4=CC=CC=C4)OC5=C(C=C(C=C5C(=N)N)F)F

Isomeric SMILES

CN1C=CN=C1C2=CN=C(C(=C2N3CCCC(C3)C(=O)O)OC4=CC=CC=C4)OC5=C(C=C(C=C5C(=N)N)F)F

InChI

InChI=1S/C28H26F2N6O4/c1-35-11-9-33-26(35)20-14-34-27(40-23-19(25(31)32)12-17(29)13-21(23)30)24(39-18-7-3-2-4-8-18)22(20)36-10-5-6-16(15-36)28(37)38/h2-4,7-9,11-14,16H,5-6,10,15H2,1H3,(H3,31,32)(H,37,38)