ethyl 4-[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: ethyl 4-[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C18H29ClN2O4 MolecularWeight: 372.88686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4.ClH/c1-4-23-18(22)20-7-5-19(6-8-20)12-16(21)13-24-17-10-14(2)9-15(3)11-17;/h9-11,16,21H,4-8,12-13H2,1-3H3;1H