2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-1-pyridin-3-yl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-1-pyridin-3-yl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-(3-pyridyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-(3-pyridinyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-pyridin-3-ylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[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:

C1C(C(=O)N(C1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C4=CN=CC=C4)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C4=CN=CC=C4)CC(=O)O

InChI

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