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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OCC=C

InChI

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