ethyl 4-[3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: ethyl 4-[3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)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(=C(C=C2)C(C)C)C)O.Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(COC2=CC(=C(C=C2)C(C)C)C)O.Cl

InChI

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