[1-[2-(3-fluorophenyl)ethylamino]-4-propyl-cyclohexyl]phosphonic acid; propan-2-ol

Systemtic Name: [1-[2-(3-fluorophenyl)ethylamino]-4-propyl-cyclohexyl]phosphonic acid; propan-2-ol Openeye Name: [1-[2-(3-fluorophenyl)ethylamino]-4-propyl-cyclohexyl]phosphonic acid; propan-2-ol CAS Name: [1-[2-(3-fluorophenyl)ethylamino]-4-propylcyclohexyl]phosphonic acid; 2-propanol IUPAC Name: [1-[2-(3-fluorophenyl)ethylamino]-4-propylcyclohexyl]phosphonic acid; propan-2-ol Traditional Name: [1-[2-(3-fluorophenyl)ethylamino]-4-propyl-cyclohexyl]phosphonic acid; propan-2-ol Formula: C20H35FNO4P MolecularWeight: 403.468364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)(NCCC2=CC(=CC=C2)F)P(=O)(O)O.CC(C)O

Isomeric SMILES

CCCC1CCC(CC1)(NCCC2=CC(=CC=C2)F)P(=O)(O)O.CC(C)O

InChI

InChI=1S/C17H27FNO3P.C3H8O/c1-2-4-14-7-10-17(11-8-14,23(20,21)22)19-12-9-15-5-3-6-16(18)13-15;1-3(2)4/h3,5-6,13-14,19H,2,4,7-12H2,1H3,(H2,20,21,22);3-4H,1-2H3