2-[5-[[4-(4-carbamimidoyl-3-fluoranyl-phenyl)phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[4-(4-carbamimidoyl-3-fluoranyl-phenyl)phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-carbamimidoyl-3-fluoro-phenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(4-carbamimidoyl-3-fluorophenyl)phenoxy]methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(4-carbamimidoyl-3-fluorophenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(4-amidino-3-fluoro-phenyl)phenoxy]methyl]-1-nicotinoyl-pyrrolidin-3-yl]acetic acid Formula: C26H25FN4O4 MolecularWeight: 476.499503

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COC2=CC=C(C=C2)C3=CC(=C(C=C3)C(=N)N)F)C(=O)C4=CN=CC=C4)CC(=O)O

Isomeric SMILES

C1C(CN(C1COC2=CC=C(C=C2)C3=CC(=C(C=C3)C(=N)N)F)C(=O)C4=CN=CC=C4)CC(=O)O

InChI

InChI=1S/C26H25FN4O4/c27-23-12-18(5-8-22(23)25(28)29)17-3-6-21(7-4-17)35-15-20-10-16(11-24(32)33)14-31(20)26(34)19-2-1-9-30-13-19/h1-9,12-13,16,20H,10-11,14-15H2,(H3,28,29)(H,32,33)