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

Systemtic Name: N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: N-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyladamantan-1-amine Traditional Name: (3,5-dimethyl-1-adamantyl)-[3-methoxy-4-(2-thenyloxy)benzyl]amine Formula: C25H33NO2S MolecularWeight: 411.60002

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C=C4)OCC5=CC=CS5)OC)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C=C4)OCC5=CC=CS5)OC)C

InChI

InChI=1S/C25H33NO2S/c1-23-10-19-11-24(2,15-23)17-25(12-19,16-23)26-13-18-6-7-21(22(9-18)27-3)28-14-20-5-4-8-29-20/h4-9,19,26H,10-17H2,1-3H3