[4-[4-ethynyl-4-oxidanyl-1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-yl]phenyl] ethanoate

Systemtic Name: [4-[4-ethynyl-4-oxidanyl-1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-yl]phenyl] ethanoate Openeye Name: [4-[1-allyl-4-ethynyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]-3-piperidyl]phenyl] acetate CAS Name: acetic acid [4-[4-ethynyl-4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]-3-piperidinyl]phenyl] ester IUPAC Name: [4-[4-ethynyl-4-hydroxy-1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-yl]phenyl] acetate Traditional Name: acetic acid [4-[1-allyl-4-ethynyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]-3-piperidyl]phenyl] ester Formula: C25H24F3NO3 MolecularWeight: 443.45817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2(CN(CCC2(C#C)O)CC=C)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2(CN(CCC2(C#C)O)CC=C)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C25H24F3NO3/c1-4-14-29-15-13-23(31,5-2)24(17-29,19-9-11-22(12-10-19)32-18(3)30)20-7-6-8-21(16-20)25(26,27)28/h2,4,6-12,16,31H,1,13-15,17H2,3H3