methyl 3-[[3-[(2-oxidanylidene-2-piperazin-1-yl-ethanoyl)amino]phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[3-[(2-oxidanylidene-2-piperazin-1-yl-ethanoyl)amino]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-[(2-oxo-2-piperazin-1-yl-acetyl)amino]benzoyl]amino]propanoate CAS Name: 3-[[[3-[[1,2-dioxo-2-(1-piperazinyl)ethyl]amino]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[(2-oxo-2-piperazin-1-ylacetyl)amino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[(2-keto-2-piperazino-acetyl)amino]benzoyl]amino]propionic acid methyl ester Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC(=CC=C1)NC(=O)C(=O)N2CCNCC2

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC(=CC=C1)NC(=O)C(=O)N2CCNCC2

InChI

InChI=1S/C17H22N4O5/c1-26-14(22)5-6-19-15(23)12-3-2-4-13(11-12)20-16(24)17(25)21-9-7-18-8-10-21/h2-4,11,18H,5-10H2,1H3,(H,19,23)(H,20,24)