1-[methyl-(phenylmethyl)amino]propan-2-yl 3,5-ditert-butylbenzoate hydrochloride

Systemtic Name: 1-[methyl-(phenylmethyl)amino]propan-2-yl 3,5-ditert-butylbenzoate hydrochloride Openeye Name: [2-[benzyl(methyl)amino]-1-methyl-ethyl] 3,5-ditert-butylbenzoate hydrochloride CAS Name: 3,5-ditert-butylbenzoic acid 1-[methyl-(phenylmethyl)amino]propan-2-yl ester hydrochloride IUPAC Name: 1-[benzyl(methyl)amino]propan-2-yl 3,5-ditert-butylbenzoate hydrochloride Traditional Name: 3,5-ditert-butylbenzoic acid [2-[benzyl(methyl)amino]-1-methyl-ethyl] ester hydrochloride Formula: C26H38ClNO2 MolecularWeight: 432.03842

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)CC1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C.Cl

Isomeric SMILES

CC(CN(C)CC1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C.Cl

InChI

InChI=1S/C26H37NO2.ClH/c1-19(17-27(8)18-20-12-10-9-11-13-20)29-24(28)21-14-22(25(2,3)4)16-23(15-21)26(5,6)7;/h9-16,19H,17-18H2,1-8H3;1H