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

Systemtic Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyrazin-2-yl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyrazin-2-yl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(2-pyrazinyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-1-pyrazin-2-yl-pyrrolidin-3-yl]acetic acid Formula: C24H25N5O3 MolecularWeight: 431.487

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)C4=NC=CN=C4)CC(=O)O

Isomeric SMILES

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

InChI

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