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

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

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

Isomeric SMILES

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

InChI

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