methyl 4-[[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C19H17BrFNO3 MolecularWeight: 406.245583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C19H17BrFNO3/c1-22(12-13-3-5-14(6-4-13)19(24)25-2)18(23)10-7-15-11-16(20)8-9-17(15)21/h3-11H,12H2,1-2H3/b10-7+