N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]adamantan-1-amine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]adamantan-1-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]adamantan-1-amine CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-adamantanamine IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]adamantan-1-amine Traditional Name: 1-adamantyl-(4-benzoxy-3-bromo-5-methoxy-benzyl)amine Formula: C25H30BrNO2 MolecularWeight: 456.4152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C25H30BrNO2/c1-28-23-11-21(10-22(26)24(23)29-16-17-5-3-2-4-6-17)15-27-25-12-18-7-19(13-25)9-20(8-18)14-25/h2-6,10-11,18-20,27H,7-9,12-16H2,1H3