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

Systemtic Name: N-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-1-amine Openeye Name: N-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]adamantan-1-amine CAS Name: N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-adamantanamine IUPAC Name: N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-1-amine Traditional Name: 1-adamantyl-[3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]amine Formula: C23H28ClNO2S MolecularWeight: 417.99192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Cl)OCC5=CC=CS5

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Cl)OCC5=CC=CS5

InChI

InChI=1S/C23H28ClNO2S/c1-26-21-9-18(8-20(24)22(21)27-14-19-3-2-4-28-19)13-25-23-10-15-5-16(11-23)7-17(6-15)12-23/h2-4,8-9,15-17,25H,5-7,10-14H2,1H3