3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-piperazin-1-yl]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-1-piperazinyl]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenoxy)propyl]-2,3-diketo-piperazino]-3-(4-methoxyphenyl)propionic acid Formula: C24H28N4O6 MolecularWeight: 468.50232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)N2CCN(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)O)N2CCN(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H28N4O6/c1-33-18-7-3-16(4-8-18)20(15-21(29)30)28-13-12-27(23(31)24(28)32)11-2-14-34-19-9-5-17(6-10-19)22(25)26/h3-10,20H,2,11-15H2,1H3,(H3,25,26)(H,29,30)