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

Systemtic Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyridin-4-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-[oxo(pyridin-4-yl)methyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-1-isonicotinoyl-pyrrolidin-3-yl]acetic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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