methyl 7-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]heptanoate

Systemtic Name: methyl 7-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]heptanoate Openeye Name: methyl 7-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]heptanoate CAS Name: 7-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]heptanoate Traditional Name: 7-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]enanthic acid methyl ester Formula: C17H21BrFNO3 MolecularWeight: 386.255943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C=CC1=C(C=CC(=C1)Br)F

Isomeric SMILES

COC(=O)CCCCCCNC(=O)/C=C/C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C17H21BrFNO3/c1-23-17(22)6-4-2-3-5-11-20-16(21)10-7-13-12-14(18)8-9-15(13)19/h7-10,12H,2-6,11H2,1H3,(H,20,21)/b10-7+