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

Systemtic Name: [4-[4-(4-pyridin-2-ylpiperazin-1-yl)phenoxy]piperidin-1-yl] 3,3-dimethylbutanoate Openeye Name: [4-[4-[4-(2-pyridyl)piperazin-1-yl]phenoxy]-1-piperidyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [4-[4-[4-(2-pyridinyl)-1-piperazinyl]phenoxy]-1-piperidinyl] ester IUPAC Name: [4-[4-(4-pyridin-2-ylpiperazin-1-yl)phenoxy]piperidin-1-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [4-[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)ON1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)CC(=O)ON1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3)C4=CC=CC=N4

InChI

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