methyl 2-[4-[[(3-bromophenyl)carbonylamino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate

Systemtic Name: methyl 2-[4-[[(3-bromophenyl)carbonylamino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate Openeye Name: methyl 2-[4-[[(3-bromobenzoyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoate CAS Name: 2-[4-[[[(3-bromophenyl)-oxomethyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(3-bromobenzoyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate Traditional Name: 2-[4-[[(3-bromobenzoyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoic acid methyl ester Formula: C22H16BrF2NO3 MolecularWeight: 460.268146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)C3=CC(=CC=C3)Br)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)C3=CC(=CC=C3)Br)F

InChI

InChI=1S/C22H16BrF2NO3/c1-29-22(28)20-17(6-3-7-18(20)24)13-8-9-15(19(25)11-13)12-26-21(27)14-4-2-5-16(23)10-14/h2-11H,12H2,1H3,(H,26,27)