[1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H19BrFNO3 MolecularWeight: 420.272163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C20H19BrFNO3/c1-14(20(25)23-12-11-15-5-3-2-4-6-15)26-19(24)10-7-16-13-17(21)8-9-18(16)22/h2-10,13-14H,11-12H2,1H3,(H,23,25)/b10-7+