1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 3,5-ditert-butylbenzoate hydrochloride

Systemtic Name: 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 3,5-ditert-butylbenzoate hydrochloride Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-1-methyl-ethyl] 3,5-ditert-butylbenzoate hydrochloride CAS Name: 3,5-ditert-butylbenzoic acid 1-(2,6-dimethyl-1-piperidinyl)propan-2-yl ester hydrochloride IUPAC Name: 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 3,5-ditert-butylbenzoate hydrochloride Traditional Name: 3,5-ditert-butylbenzoic acid [2-(2,6-dimethylpiperidino)-1-methyl-ethyl] ester hydrochloride Formula: C25H42ClNO2 MolecularWeight: 424.05948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CC(C)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C.Cl

Isomeric SMILES

CC1CCCC(N1CC(C)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C.Cl

InChI

InChI=1S/C25H41NO2.ClH/c1-17-11-10-12-18(2)26(17)16-19(3)28-23(27)20-13-21(24(4,5)6)15-22(14-20)25(7,8)9;/h13-15,17-19H,10-12,16H2,1-9H3;1H