1-pyrrolidin-1-ylpropan-2-yl 4-tert-butylbenzoate hydrochloride

Systemtic Name: 1-pyrrolidin-1-ylpropan-2-yl 4-tert-butylbenzoate hydrochloride Openeye Name: (1-methyl-2-pyrrolidin-1-yl-ethyl) 4-tert-butylbenzoate hydrochloride CAS Name: 4-tert-butylbenzoic acid 1-(1-pyrrolidinyl)propan-2-yl ester hydrochloride IUPAC Name: 1-pyrrolidin-1-ylpropan-2-yl 4-tert-butylbenzoate hydrochloride Traditional Name: 4-tert-butylbenzoic acid (1-methyl-2-pyrrolidino-ethyl) ester hydrochloride Formula: C18H28ClNO2 MolecularWeight: 325.87342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)OC(=O)C2=CC=C(C=C2)C(C)(C)C.Cl

Isomeric SMILES

CC(CN1CCCC1)OC(=O)C2=CC=C(C=C2)C(C)(C)C.Cl

InChI

InChI=1S/C18H27NO2.ClH/c1-14(13-19-11-5-6-12-19)21-17(20)15-7-9-16(10-8-15)18(2,3)4;/h7-10,14H,5-6,11-13H2,1-4H3;1H