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

Systemtic Name: ethyl 4-[3-(2,4-ditert-butylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[3-(2,4-ditert-butylphenoxy)-2-hydroxy-propyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[3-(2,4-ditert-butylphenoxy)-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[3-(2,4-ditert-butylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[3-(2,4-ditert-butylphenoxy)-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C24H41ClN2O4 MolecularWeight: 457.04634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N2O4.ClH/c1-8-29-22(28)26-13-11-25(12-14-26)16-19(27)17-30-21-10-9-18(23(2,3)4)15-20(21)24(5,6)7;/h9-10,15,19,27H,8,11-14,16-17H2,1-7H3;1H