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

Systemtic Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyrimidin-2-yl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyrimidin-2-yl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(2-pyrimidinyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-[[4-(4-amidinophenyl)phenoxy]methyl]-1-(2-pyrimidyl)pyrrolidin-3-yl]acetic acid Formula: C24H25N5O3 MolecularWeight: 431.487

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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)C4=NC=CC=N4

Isomeric SMILES

C1CN(C(C1CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C4=NC=CC=N4

InChI

InChI=1S/C24H25N5O3/c25-23(26)18-4-2-16(3-5-18)17-6-8-20(9-7-17)32-15-21-19(14-22(30)31)10-13-29(21)24-27-11-1-12-28-24/h1-9,11-12,19,21H,10,13-15H2,(H3,25,26)(H,30,31)