N-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]adamantan-1-amine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]adamantan-1-amine Openeye Name: N-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methyl]adamantan-1-amine CAS Name: N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-adamantanamine IUPAC Name: N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]adamantan-1-amine Traditional Name: 1-adamantyl-(4-allyloxy-3-bromo-5-methoxy-benzyl)amine Formula: C21H28BrNO2 MolecularWeight: 406.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO2/c1-3-4-25-20-18(22)8-17(9-19(20)24-2)13-23-21-10-14-5-15(11-21)7-16(6-14)12-21/h3,8-9,14-16,23H,1,4-7,10-13H2,2H3