2-[2,3-bis(oxidanylidene)piperazin-1-yl]-6-(4-carbamimidoylphenoxy)-2-phenyl-hexanoic acid

Systemtic Name: 2-[2,3-bis(oxidanylidene)piperazin-1-yl]-6-(4-carbamimidoylphenoxy)-2-phenyl-hexanoic acid Openeye Name: 6-(4-carbamimidoylphenoxy)-2-(2,3-dioxopiperazin-1-yl)-2-phenyl-hexanoic acid CAS Name: 6-(4-carbamimidoylphenoxy)-2-(2,3-dioxo-1-piperazinyl)-2-phenylhexanoic acid IUPAC Name: 6-(4-carbamimidoylphenoxy)-2-(2,3-dioxopiperazin-1-yl)-2-phenylhexanoic acid Traditional Name: 6-(4-amidinophenoxy)-2-(2,3-diketopiperazino)-2-phenyl-hexanoic acid Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1)C(CCCCOC2=CC=C(C=C2)C(=N)N)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(C(=O)C(=O)N1)C(CCCCOC2=CC=C(C=C2)C(=N)N)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H26N4O5/c24-19(25)16-8-10-18(11-9-16)32-15-5-4-12-23(22(30)31,17-6-2-1-3-7-17)27-14-13-26-20(28)21(27)29/h1-3,6-11H,4-5,12-15H2,(H3,24,25)(H,26,28)(H,30,31)