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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(cyclopentylcarbamoylamino)-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-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H18BrFN2O4 MolecularWeight: 413.238223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H18BrFN2O4/c18-12-6-7-14(19)11(9-12)5-8-16(23)25-10-15(22)21-17(24)20-13-3-1-2-4-13/h5-9,13H,1-4,10H2,(H2,20,21,22,24)/b8-5+