3-[[(Z)-2-benzamido-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[(Z)-2-benzamido-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-4-methoxy-benzoic acid Openeye Name: 3-[[(Z)-2-benzamido-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-4-methoxy-benzoic acid CAS Name: 3-[[(Z)-2-benzamido-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[(Z)-2-benzamido-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid Traditional Name: 3-[[(Z)-2-benzamido-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-4-methoxy-benzoic acid Formula: C24H18BrFN2O5 MolecularWeight: 513.312523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=O)C(=CC2=C(C=CC(=C2)Br)F)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)F)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H18BrFN2O5/c1-33-21-10-7-15(24(31)32)12-19(21)27-23(30)20(13-16-11-17(25)8-9-18(16)26)28-22(29)14-5-3-2-4-6-14/h2-13H,1H3,(H,27,30)(H,28,29)(H,31,32)/b20-13-