tert-butyl 2-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]oxyethanoate Openeye Name: tert-butyl 2-[[1-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-4-piperidinyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[2-[4-(4-pyridyl)piperazino]acetyl]-4-piperidyl]oxy]acetic acid tert-butyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C22H34N4O4/c1-22(2,3)30-21(28)17-29-19-6-10-26(11-7-19)20(27)16-24-12-14-25(15-13-24)18-4-8-23-9-5-18/h4-5,8-9,19H,6-7,10-17H2,1-3H3