2-[2-[[2-bromanyl-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[2-[[2-bromanyl-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-[[2-bromo-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-[[2-bromo-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[[2-bromo-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-[[4-(4-amidinophenyl)-2-bromo-phenoxy]methyl]-1-nicotinoyl-pyrrolidin-3-yl]acetic acid Formula: C26H25BrN4O4 MolecularWeight: 537.4051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1CC(=O)O)COC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)Br)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(C(C1CC(=O)O)COC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)Br)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H25BrN4O4/c27-21-12-18(16-3-5-17(6-4-16)25(28)29)7-8-23(21)35-15-22-19(13-24(32)33)9-11-31(22)26(34)20-2-1-10-30-14-20/h1-8,10,12,14,19,22H,9,11,13,15H2,(H3,28,29)(H,32,33)