tert-butyl 4-[4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]phenyl]piperazine-1-carboxylate ethanoate

Systemtic Name: tert-butyl 4-[4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]phenyl]piperazine-1-carboxylate ethanoate Openeye Name: tert-butyl 4-[4-[[(1-tert-butyl-4-piperidyl)amino]methyl]phenyl]piperazine-1-carboxylate acetate CAS Name: 4-[4-[[(1-tert-butyl-4-piperidinyl)amino]methyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester acetate IUPAC Name: tert-butyl 4-[4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]phenyl]piperazine-1-carboxylate acetate Traditional Name: 4-[4-[[(1-tert-butyl-4-piperidyl)amino]methyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester acetate Formula: C27H45N4O4- MolecularWeight: 489.6706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)N1CCC(CC1)NCC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)[O-].CC(C)(C)N1CCC(CC1)NCC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H42N4O2.C2H4O2/c1-24(2,3)29-13-11-21(12-14-29)26-19-20-7-9-22(10-8-20)27-15-17-28(18-16-27)23(30)31-25(4,5)6;1-2(3)4/h7-10,21,26H,11-19H2,1-6H3;1H3,(H,3,4)/p-1