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

Systemtic Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-[[4-(4-amidinophenyl)phenoxy]methyl]-1-nicotinoyl-pyrrolidin-3-yl]acetic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(C(C1CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H26N4O4/c27-25(28)19-5-3-17(4-6-19)18-7-9-22(10-8-18)34-16-23-20(14-24(31)32)11-13-30(23)26(33)21-2-1-12-29-15-21/h1-10,12,15,20,23H,11,13-14,16H2,(H3,27,28)(H,31,32)