[1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-piperidin-4-yl] N-butylcarbamate

Systemtic Name: [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-piperidin-4-yl] N-butylcarbamate Openeye Name: [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-4-piperidyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-4-piperidinyl] ester IUPAC Name: [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynylpiperidin-4-yl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [1-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-ethynyl-4-piperidyl] ester Formula: C28H32F2N2O2 MolecularWeight: 466.562686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1(CCN(CC1)CCC=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C#C

Isomeric SMILES

CCCCNC(=O)OC1(CCN(CC1)CCC=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C#C

InChI

InChI=1S/C28H32F2N2O2/c1-3-5-18-31-27(33)34-28(4-2)16-20-32(21-17-28)19-6-7-26(22-8-12-24(29)13-9-22)23-10-14-25(30)15-11-23/h2,7-15H,3,5-6,16-21H2,1H3,(H,31,33)