(4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H20F3NO3 MolecularWeight: 403.39431

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C=CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)/C=C/C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H20F3NO3/c23-22(24,25)19-5-3-4-16(14-19)8-11-20(27)29-15-17-6-9-18(10-7-17)21(28)26-12-1-2-13-26/h3-11,14H,1-2,12-13,15H2/b11-8+