4-[[2-[2-[(4-cyclohexylphenoxy)methyl]-5-fluoranyl-phenyl]ethylamino]methyl]benzoate

Systemtic Name: 4-[[2-[2-[(4-cyclohexylphenoxy)methyl]-5-fluoranyl-phenyl]ethylamino]methyl]benzoate Openeye Name: 4-[[2-[2-[(4-cyclohexylphenoxy)methyl]-5-fluoro-phenyl]ethylamino]methyl]benzoate CAS Name: 4-[[2-[2-[(4-cyclohexylphenoxy)methyl]-5-fluorophenyl]ethylamino]methyl]benzoate IUPAC Name: 4-[[2-[2-[(4-cyclohexylphenoxy)methyl]-5-fluorophenyl]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[2-[(4-cyclohexylphenoxy)methyl]-5-fluoro-phenyl]ethylamino]methyl]benzoate Formula: C29H31FNO3- MolecularWeight: 460.559743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)CCNCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)CCNCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C29H32FNO3/c30-27-13-10-26(20-34-28-14-11-23(12-15-28)22-4-2-1-3-5-22)25(18-27)16-17-31-19-21-6-8-24(9-7-21)29(32)33/h6-15,18,22,31H,1-5,16-17,19-20H2,(H,32,33)/p-1