methyl 3-[5-(4-pyridin-4-ylpiperazin-1-yl)pentanoylamino]propanoate

Systemtic Name: methyl 3-[5-(4-pyridin-4-ylpiperazin-1-yl)pentanoylamino]propanoate Openeye Name: methyl 3-[5-[4-(4-pyridyl)piperazin-1-yl]pentanoylamino]propanoate CAS Name: 3-[[1-oxo-5-(4-pyridin-4-yl-1-piperazinyl)pentyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(4-pyridin-4-ylpiperazin-1-yl)pentanoylamino]propanoate Traditional Name: 3-[5-[4-(4-pyridyl)piperazino]pentanoylamino]propionic acid methyl ester Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)CCCCN1CCN(CC1)C2=CC=NC=C2

Isomeric SMILES

COC(=O)CCNC(=O)CCCCN1CCN(CC1)C2=CC=NC=C2

InChI

InChI=1S/C18H28N4O3/c1-25-18(24)7-10-20-17(23)4-2-3-11-21-12-14-22(15-13-21)16-5-8-19-9-6-16/h5-6,8-9H,2-4,7,10-15H2,1H3,(H,20,23)