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

Systemtic Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-1-pyridin-3-yl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-(3-pyridyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-(3-pyridinyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-pyridin-3-ylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-1-(3-pyridyl)pyrrolidin-3-yl]acetic acid Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1(CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C4=CN=CC=C4

Isomeric SMILES

C1CN(C(=O)C1(CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C4=CN=CC=C4

InChI

InChI=1S/C25H24N4O4/c26-23(27)19-5-3-17(4-6-19)18-7-9-21(10-8-18)33-16-25(14-22(30)31)11-13-29(24(25)32)20-2-1-12-28-15-20/h1-10,12,15H,11,13-14,16H2,(H3,26,27)(H,30,31)