(1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-tert-butylbenzoate hydrochloride

Systemtic Name: (1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-tert-butylbenzoate hydrochloride Openeye Name: (1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-tert-butylbenzoate hydrochloride CAS Name: 4-tert-butylbenzoic acid [1-phenyl-2-(1-pyrrolidinyl)ethyl] ester hydrochloride IUPAC Name: (1-phenyl-2-pyrrolidin-1-ylethyl) 4-tert-butylbenzoate hydrochloride Traditional Name: 4-tert-butylbenzoic acid (1-phenyl-2-pyrrolidino-ethyl) ester hydrochloride Formula: C23H30ClNO2 MolecularWeight: 387.9428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(CN2CCCC2)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(CN2CCCC2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C23H29NO2.ClH/c1-23(2,3)20-13-11-19(12-14-20)22(25)26-21(17-24-15-7-8-16-24)18-9-5-4-6-10-18;/h4-6,9-14,21H,7-8,15-17H2,1-3H3;1H