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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)benzoyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)benzoyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[4-(4-amidinophenyl)benzoyl]piperazino]propionic acid Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N4O3/c22-20(23)17-5-1-15(2-6-17)16-3-7-18(8-4-16)21(28)25-13-11-24(12-14-25)10-9-19(26)27/h1-8H,9-14H2,(H3,22,23)(H,26,27)