methyl 2-[5-[[2-bromanyl-4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate

Systemtic Name: methyl 2-[5-[[2-bromanyl-4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[5-[[2-bromo-4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[2-bromo-4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[[2-bromo-4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(4-amidinophenyl)-2-bromo-phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid methyl ester Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(NC1=O)COC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)Br

Isomeric SMILES

COC(=O)CC1CC(NC1=O)COC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)Br

InChI

InChI=1S/C21H22BrN3O4/c1-28-19(26)10-15-8-16(25-21(15)27)11-29-18-7-6-14(9-17(18)22)12-2-4-13(5-3-12)20(23)24/h2-7,9,15-16H,8,10-11H2,1H3,(H3,23,24)(H,25,27)