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

Systemtic Name: ethyl 1-[3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate hydrochloride Openeye Name: ethyl 1-[3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]piperidine-4-carboxylate hydrochloride CAS Name: 1-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]piperidine-4-carboxylate hydrochloride Traditional Name: 1-[3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]isonipecotic acid ethyl ester hydrochloride Formula: C27H40ClNO4 MolecularWeight: 478.0638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.Cl

InChI

InChI=1S/C27H39NO4.ClH/c1-2-31-26(30)22-7-9-28(10-8-22)17-24(29)18-32-25-5-3-23(4-6-25)27-14-19-11-20(15-27)13-21(12-19)16-27;/h3-6,19-22,24,29H,2,7-18H2,1H3;1H