(4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H19BrFNO3 MolecularWeight: 432.282863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrFNO3/c22-18-8-9-19(23)17(13-18)7-10-20(25)27-14-15-3-5-16(6-4-15)21(26)24-11-1-2-12-24/h3-10,13H,1-2,11-12,14H2/b10-7+