methyl 2-[2-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]oxyethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]oxyethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]oxyacetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]oxyacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H19BrFNO5 MolecularWeight: 464.281663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C21H19BrFNO5/c1-28-21(27)18(11-14-5-3-2-4-6-14)24-19(25)13-29-20(26)10-7-15-12-16(22)8-9-17(15)23/h2-10,12,18H,11,13H2,1H3,(H,24,25)/b10-7+