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

Systemtic Name: ethyl 4-[3-(4-cyclohexylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[3-(4-cyclohexylphenoxy)-2-hydroxy-propyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[3-(4-cyclohexylphenoxy)-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[3-(4-cyclohexylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[3-(4-cyclohexylphenoxy)-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C22H35ClN2O4 MolecularWeight: 426.9773

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)C3CCCCC3)O.Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)C3CCCCC3)O.Cl

InChI

InChI=1S/C22H34N2O4.ClH/c1-2-27-22(26)24-14-12-23(13-15-24)16-20(25)17-28-21-10-8-19(9-11-21)18-6-4-3-5-7-18;/h8-11,18,20,25H,2-7,12-17H2,1H3;1H