[(2S,4R)-1-[(1R)-4-methyl-1-pyridin-3-yl-pent-4-en-2-ynyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl] ethanoate

Systemtic Name: [(2S,4R)-1-[(1R)-4-methyl-1-pyridin-3-yl-pent-4-en-2-ynyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl] ethanoate Openeye Name: [(2S,4R)-1-[(1R)-4-methyl-1-(3-pyridyl)pent-4-en-2-ynyl]-2-[4-(trifluoromethyl)phenyl]-4-piperidyl] acetate CAS Name: acetic acid [(2S,4R)-1-[(1R)-4-methyl-1-(3-pyridinyl)pent-4-en-2-ynyl]-2-[4-(trifluoromethyl)phenyl]-4-piperidinyl] ester IUPAC Name: [(2S,4R)-1-[(1R)-4-methyl-1-pyridin-3-ylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl] acetate Traditional Name: acetic acid [(2S,4R)-1-[(1R)-4-methyl-1-(3-pyridyl)pent-4-en-2-ynyl]-2-[4-(trifluoromethyl)phenyl]-4-piperidyl] ester Formula: C25H25F3N2O2 MolecularWeight: 442.47341

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C#CC(C1=CN=CC=C1)N2CCC(CC2C3=CC=C(C=C3)C(F)(F)F)OC(=O)C

Isomeric SMILES

CC(=C)C#C[C@H](C1=CN=CC=C1)N2CC[C@H](C[C@H]2C3=CC=C(C=C3)C(F)(F)F)OC(=O)C

InChI

InChI=1S/C25H25F3N2O2/c1-17(2)6-11-23(20-5-4-13-29-16-20)30-14-12-22(32-18(3)31)15-24(30)19-7-9-21(10-8-19)25(26,27)28/h4-5,7-10,13,16,22-24H,1,12,14-15H2,2-3H3/t22-,23-,24+/m1/s1