3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenyl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

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