N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: N-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyladamantan-1-amine Traditional Name: (3,5-dimethyl-1-adamantyl)-[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)CNC23CC4CC(C2)(CC(C4)(C3)C)C)OCC5=CC=CS5

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC23CC4CC(C2)(CC(C4)(C3)C)C)OCC5=CC=CS5

InChI

InChI=1S/C26H35NO2S/c1-4-28-23-10-19(7-8-22(23)29-15-21-6-5-9-30-21)14-27-26-13-20-11-24(2,17-26)16-25(3,12-20)18-26/h5-10,20,27H,4,11-18H2,1-3H3