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

Systemtic Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyrazin-2-yl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyrazin-2-yl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(2-pyrazinyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyrazin-2-ylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-[[4-(4-amidinophenyl)phenoxy]methyl]-1-pyrazin-2-yl-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=CN=C4

Isomeric SMILES

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

InChI

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