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

Systemtic Name: 2-[3-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[4-(4-carbamimidoylphenyl)-1-piperazinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[4-(4-amidinophenyl)piperazino]methyl]phenyl]acetic acid Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2/c21-20(22)17-4-6-18(7-5-17)24-10-8-23(9-11-24)14-16-3-1-2-15(12-16)13-19(25)26/h1-7,12H,8-11,13-14H2,(H3,21,22)(H,25,26)