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

Systemtic Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-1-pyridin-2-yl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-(2-pyridyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-(2-pyridinyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-pyridin-2-ylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-1-(2-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=CC=CC=N4)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=N4)CC(=O)O

InChI

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