5-[[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C18H15BrFNO4 MolecularWeight: 408.218403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C=CC2=C(C=CC(=C2)Br)F)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=C(C=CC(=C2)Br)F)C(=O)O

InChI

InChI=1S/C18H15BrFNO4/c1-25-16-6-2-11(8-14(16)18(23)24)10-21-17(22)7-3-12-9-13(19)4-5-15(12)20/h2-9H,10H2,1H3,(H,21,22)(H,23,24)/b7-3+