[3-[4-[5-(2-methylpropanoylamino)pyridin-2-yl]piperazin-1-yl]-2-oxidanyl-propyl] butanoate

Systemtic Name: [3-[4-[5-(2-methylpropanoylamino)pyridin-2-yl]piperazin-1-yl]-2-oxidanyl-propyl] butanoate Openeye Name: [2-hydroxy-3-[4-[5-(2-methylpropanoylamino)-2-pyridyl]piperazin-1-yl]propyl] butanoate CAS Name: butanoic acid [2-hydroxy-3-[4-[5-[(2-methyl-1-oxopropyl)amino]-2-pyridinyl]-1-piperazinyl]propyl] ester IUPAC Name: [2-hydroxy-3-[4-[5-(2-methylpropanoylamino)pyridin-2-yl]piperazin-1-yl]propyl] butanoate Traditional Name: butyric acid [2-hydroxy-3-[4-[5-(isobutyrylamino)-2-pyridyl]piperazino]propyl] ester Formula: C20H32N4O4 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C(C)C)O

Isomeric SMILES

CCCC(=O)OCC(CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C(C)C)O

InChI

InChI=1S/C20H32N4O4/c1-4-5-19(26)28-14-17(25)13-23-8-10-24(11-9-23)18-7-6-16(12-21-18)22-20(27)15(2)3/h6-7,12,15,17,25H,4-5,8-11,13-14H2,1-3H3,(H,22,27)