[3-[4-(4-pyridin-2-ylpiperazin-1-yl)phenoxy]piperidin-1-yl] 3,3-dimethylbutanoate

Systemtic Name: [3-[4-(4-pyridin-2-ylpiperazin-1-yl)phenoxy]piperidin-1-yl] 3,3-dimethylbutanoate Openeye Name: [3-[4-[4-(2-pyridyl)piperazin-1-yl]phenoxy]-1-piperidyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [3-[4-[4-(2-pyridinyl)-1-piperazinyl]phenoxy]-1-piperidinyl] ester IUPAC Name: [3-[4-(4-pyridin-2-ylpiperazin-1-yl)phenoxy]piperidin-1-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [3-[4-[4-(2-pyridyl)piperazino]phenoxy]piperidino] ester Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)ON1CCCC(C1)OC2=CC=C(C=C2)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)CC(=O)ON1CCCC(C1)OC2=CC=C(C=C2)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H36N4O3/c1-26(2,3)19-25(31)33-30-14-6-7-23(20-30)32-22-11-9-21(10-12-22)28-15-17-29(18-16-28)24-8-4-5-13-27-24/h4-5,8-13,23H,6-7,14-20H2,1-3H3