1-piperidin-1-ylpropan-2-yl 3,5-ditert-butylbenzoate hydrochloride

Systemtic Name: 1-piperidin-1-ylpropan-2-yl 3,5-ditert-butylbenzoate hydrochloride Openeye Name: [1-methyl-2-(1-piperidyl)ethyl] 3,5-ditert-butylbenzoate hydrochloride CAS Name: 3,5-ditert-butylbenzoic acid 1-(1-piperidinyl)propan-2-yl ester hydrochloride IUPAC Name: 1-piperidin-1-ylpropan-2-yl 3,5-ditert-butylbenzoate hydrochloride Traditional Name: 3,5-ditert-butylbenzoic acid (1-methyl-2-piperidino-ethyl) ester hydrochloride Formula: C23H38ClNO2 MolecularWeight: 396.00632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCCC1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C.Cl

Isomeric SMILES

CC(CN1CCCCC1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C.Cl

InChI

InChI=1S/C23H37NO2.ClH/c1-17(16-24-11-9-8-10-12-24)26-21(25)18-13-19(22(2,3)4)15-20(14-18)23(5,6)7;/h13-15,17H,8-12,16H2,1-7H3;1H