[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H17BrFNO3 MolecularWeight: 418.256283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H17BrFNO3/c21-15-7-10-17(22)14(12-15)6-11-18(24)26-19(13-4-2-1-3-5-13)20(25)23-16-8-9-16/h1-7,10-12,16,19H,8-9H2,(H,23,25)/b11-6+