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

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21BrFNO3 MolecularWeight: 398.266643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C18H21BrFNO3/c1-12(18(23)21-15-5-3-2-4-6-15)24-17(22)10-7-13-11-14(19)8-9-16(13)20/h7-12,15H,2-6H2,1H3,(H,21,23)/b10-7+