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

Systemtic Name: ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C26H39ClN2O4 MolecularWeight: 479.05186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.Cl

InChI

InChI=1S/C26H38N2O4.ClH/c1-2-31-25(30)28-9-7-27(8-10-28)17-23(29)18-32-24-5-3-22(4-6-24)26-14-19-11-20(15-26)13-21(12-19)16-26;/h3-6,19-21,23,29H,2,7-18H2,1H3;1H