2-[4-[(1-adamantylamino)methyl]-2-ethoxy-phenoxy]-N-(phenylmethyl)ethanamide hydrochloride

Systemtic Name: 2-[4-[(1-adamantylamino)methyl]-2-ethoxy-phenoxy]-N-(phenylmethyl)ethanamide hydrochloride Openeye Name: 2-[4-[(1-adamantylamino)methyl]-2-ethoxy-phenoxy]-N-benzyl-acetamide hydrochloride CAS Name: 2-[4-[(1-adamantylamino)methyl]-2-ethoxyphenoxy]-N-(phenylmethyl)acetamide hydrochloride IUPAC Name: 2-[4-[(1-adamantylamino)methyl]-2-ethoxyphenoxy]-N-benzylacetamide hydrochloride Traditional Name: 2-[4-[(1-adamantylamino)methyl]-2-ethoxy-phenoxy]-N-benzyl-acetamide hydrochloride Formula: C28H37ClN2O3 MolecularWeight: 485.05798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OCC(=O)NCC5=CC=CC=C5.Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OCC(=O)NCC5=CC=CC=C5.Cl

InChI

InChI=1S/C28H36N2O3.ClH/c1-2-32-26-13-21(18-30-28-14-22-10-23(15-28)12-24(11-22)16-28)8-9-25(26)33-19-27(31)29-17-20-6-4-3-5-7-20;/h3-9,13,22-24,30H,2,10-12,14-19H2,1H3,(H,29,31);1H