methyl 2-[5-[[4-(6-carbamimidoylpyridin-3-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate

Systemtic Name: methyl 2-[5-[[4-(6-carbamimidoylpyridin-3-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[5-[[4-(6-carbamimidoyl-3-pyridyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[4-(6-carbamimidoyl-3-pyridinyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[[4-(6-carbamimidoylpyridin-3-yl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(6-amidino-3-pyridyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-27-18(25)9-14-8-15(24-20(14)26)11-28-16-5-2-12(3-6-16)13-4-7-17(19(21)22)23-10-13/h2-7,10,14-15H,8-9,11H2,1H3,(H3,21,22)(H,24,26)