1-(1-adamantyl)-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

Systemtic Name: 1-(1-adamantyl)-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine Openeye Name: 1-(1-adamantyl)-N-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl]ethanamine CAS Name: 1-(1-adamantyl)-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine IUPAC Name: 1-(1-adamantyl)-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine Traditional Name: 1-(1-adamantyl)ethyl-[3-ethoxy-4-(2-thenyloxy)benzyl]amine Formula: C26H35NO2S MolecularWeight: 425.6266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(C)C23CC4CC(C2)CC(C4)C3)OCC5=CC=CS5

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(C)C23CC4CC(C2)CC(C4)C3)OCC5=CC=CS5

InChI

InChI=1S/C26H35NO2S/c1-3-28-25-12-19(6-7-24(25)29-17-23-5-4-8-30-23)16-27-18(2)26-13-20-9-21(14-26)11-22(10-20)15-26/h4-8,12,18,20-22,27H,3,9-11,13-17H2,1-2H3