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

Systemtic Name: 3-phenylpropyl 2-[4-[4-[[2-[4-[1,1-bis(fluoranyl)ethyl]phenyl]phenyl]carbonylamino]phenyl]piperidin-1-yl]-2-phenyl-ethanoate Openeye Name: 3-phenylpropyl 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-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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-phenylpropyl ester Formula: C43H42F2N2O3 MolecularWeight: 672.801986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C4CCN(CC4)C(C5=CC=CC=C5)C(=O)OCCCC6=CC=CC=C6)(F)F

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C4CCN(CC4)C(C5=CC=CC=C5)C(=O)OCCCC6=CC=CC=C6)(F)F

InChI

InChI=1S/C43H42F2N2O3/c1-43(44,45)36-22-18-34(19-23-36)38-16-8-9-17-39(38)41(48)46-37-24-20-32(21-25-37)33-26-28-47(29-27-33)40(35-14-6-3-7-15-35)42(49)50-30-10-13-31-11-4-2-5-12-31/h2-9,11-12,14-25,33,40H,10,13,26-30H2,1H3,(H,46,48)