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

Systemtic Name: 2-[3-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[4-(4-carbamimidoylphenyl)-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[4-(4-amidinophenyl)piperazino]methyl]phenoxy]acetic acid Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H24N4O3/c21-20(22)16-4-6-17(7-5-16)24-10-8-23(9-11-24)13-15-2-1-3-18(12-15)27-14-19(25)26/h1-7,12H,8-11,13-14H2,(H3,21,22)(H,25,26)