1-(1-adamantyl)-N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]ethanamine hydrochloride

Systemtic Name: 1-(1-adamantyl)-N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]ethanamine hydrochloride Openeye Name: 1-(1-adamantyl)-N-[(4-benzyloxy-3-ethoxy-phenyl)methyl]ethanamine hydrochloride CAS Name: 1-(1-adamantyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine hydrochloride IUPAC Name: 1-(1-adamantyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine hydrochloride Traditional Name: 1-(1-adamantyl)ethyl-(4-benzoxy-3-ethoxy-benzyl)amine hydrochloride Formula: C28H38ClNO2 MolecularWeight: 456.05982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(C)C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5.Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(C)C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5.Cl

InChI

InChI=1S/C28H37NO2.ClH/c1-3-30-27-14-22(9-10-26(27)31-19-21-7-5-4-6-8-21)18-29-20(2)28-15-23-11-24(16-28)13-25(12-23)17-28;/h4-10,14,20,23-25,29H,3,11-13,15-19H2,1-2H3;1H