ethyl 4-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: ethyl 4-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C20H33ClN2O4 MolecularWeight: 400.94002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2C(C)(C)C)O.Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2C(C)(C)C)O.Cl

InChI

InChI=1S/C20H32N2O4.ClH/c1-5-25-19(24)22-12-10-21(11-13-22)14-16(23)15-26-18-9-7-6-8-17(18)20(2,3)4;/h6-9,16,23H,5,10-15H2,1-4H3;1H