3-methylbut-2-enyl 2-[4-[4-[[2-[4-[1,1-bis(fluoranyl)ethyl]phenyl]phenyl]carbonylamino]phenyl]piperidin-1-yl]-2-phenyl-ethanoate

Systemtic Name: 3-methylbut-2-enyl 2-[4-[4-[[2-[4-[1,1-bis(fluoranyl)ethyl]phenyl]phenyl]carbonylamino]phenyl]piperidin-1-yl]-2-phenyl-ethanoate Openeye Name: 3-methylbut-2-enyl 2-[4-[4-[[2-[4-(1,1-difluoroethyl)phenyl]benzoyl]amino]phenyl]-1-piperidyl]-2-phenyl-acetate CAS Name: 2-[4-[4-[[[2-[4-(1,1-difluoroethyl)phenyl]phenyl]-oxomethyl]amino]phenyl]-1-piperidinyl]-2-phenylacetic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl 2-[4-[4-[[2-[4-(1,1-difluoroethyl)phenyl]benzoyl]amino]phenyl]piperidin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[4-[[2-[4-(1,1-difluoroethyl)phenyl]benzoyl]amino]phenyl]piperidino]-2-phenyl-acetic acid 3-methylbut-2-enyl ester Formula: C39H40F2N2O3 MolecularWeight: 622.743306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C(C1=CC=CC=C1)N2CCC(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=C(C=C5)C(C)(F)F)C

Isomeric SMILES

CC(=CCOC(=O)C(C1=CC=CC=C1)N2CCC(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=C(C=C5)C(C)(F)F)C

InChI

InChI=1S/C39H40F2N2O3/c1-27(2)23-26-46-38(45)36(31-9-5-4-6-10-31)43-24-21-29(22-25-43)28-15-19-33(20-16-28)42-37(44)35-12-8-7-11-34(35)30-13-17-32(18-14-30)39(3,40)41/h4-20,23,29,36H,21-22,24-26H2,1-3H3,(H,42,44)