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

Systemtic Name: 2-[1-[[2-bromanyl-4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-[[2-bromo-4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-[[2-bromo-4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-[[2-bromo-4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-[[4-(4-amidinophenyl)-2-bromo-phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O4/c21-16-9-14(12-1-3-13(4-2-12)19(22)23)5-6-17(16)28-11-24-8-7-15(20(24)27)10-18(25)26/h1-6,9,15H,7-8,10-11H2,(H3,22,23)(H,25,26)