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

Systemtic Name: [4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl] propanoate Openeye Name: [4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-piperazin-1-yl] propanoate CAS Name: propanoic acid [4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-1-piperazinyl] ester IUPAC Name: [4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl] propanoate Traditional Name: propionic acid [4-[3-(4-amidinophenoxy)propyl]-2,3-diketo-piperazino] ester Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1CCN(C(=O)C1=O)CCCOC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC(=O)ON1CCN(C(=O)C1=O)CCCOC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H22N4O5/c1-2-14(22)26-21-10-9-20(16(23)17(21)24)8-3-11-25-13-6-4-12(5-7-13)15(18)19/h4-7H,2-3,8-11H2,1H3,(H3,18,19)