(4-tert-butylphenyl)methyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylic acid (4-tert-butylbenzyl) ester Formula: C22H26F3N3O2 MolecularWeight: 421.45595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H26F3N3O2/c1-21(2,3)17-6-4-16(5-7-17)15-30-20(29)28-12-10-27(11-13-28)19-9-8-18(14-26-19)22(23,24)25/h4-9,14H,10-13,15H2,1-3H3