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

Systemtic Name: methyl 3-[4-(4-pyridin-4-ylpiperazin-1-yl)butanoylamino]propanoate Openeye Name: methyl 3-[4-[4-(4-pyridyl)piperazin-1-yl]butanoylamino]propanoate CAS Name: 3-[[1-oxo-4-(4-pyridin-4-yl-1-piperazinyl)butyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-pyridin-4-ylpiperazin-1-yl)butanoylamino]propanoate Traditional Name: 3-[4-[4-(4-pyridyl)piperazino]butanoylamino]propionic acid methyl ester Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)CCCN1CCN(CC1)C2=CC=NC=C2

Isomeric SMILES

COC(=O)CCNC(=O)CCCN1CCN(CC1)C2=CC=NC=C2

InChI

InChI=1S/C17H26N4O3/c1-24-17(23)6-9-19-16(22)3-2-10-20-11-13-21(14-12-20)15-4-7-18-8-5-15/h4-5,7-8H,2-3,6,9-14H2,1H3,(H,19,22)