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

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C17H18BrFN2O4 MolecularWeight: 413.238223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F)C(=O)N

InChI

InChI=1S/C17H18BrFN2O4/c18-13-4-5-14(19)11(8-13)3-6-16(23)25-10-15(22)21-7-1-2-12(9-21)17(20)24/h3-6,8,12H,1-2,7,9-10H2,(H2,20,24)/b6-3+/t12-/m1/s1