N-[[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]adamantan-2-amine

Systemtic Name: N-[[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]adamantan-2-amine Openeye Name: N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]adamantan-2-amine CAS Name: N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-adamantanamine IUPAC Name: N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]adamantan-2-amine Traditional Name: 2-adamantyl-[3-chloro-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]amine Formula: C26H31ClFNO2 MolecularWeight: 443.981243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Cl)OCC5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Cl)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C26H31ClFNO2/c1-2-30-24-13-19(12-23(27)26(24)31-15-16-3-5-22(28)6-4-16)14-29-25-20-8-17-7-18(10-20)11-21(25)9-17/h3-6,12-13,17-18,20-21,25,29H,2,7-11,14-15H2,1H3