methyl 3-[4-(bromomethyl)-3-fluoranyl-phenyl]carbonyl-1-(dimethylcarbamoyl)indole-4-carboxylate

Systemtic Name: methyl 3-[4-(bromomethyl)-3-fluoranyl-phenyl]carbonyl-1-(dimethylcarbamoyl)indole-4-carboxylate Openeye Name: methyl 3-[4-(bromomethyl)-3-fluoro-benzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylate CAS Name: 3-[[4-(bromomethyl)-3-fluorophenyl]-oxomethyl]-1-[dimethylamino(oxo)methyl]-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(bromomethyl)-3-fluorobenzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylate Traditional Name: 3-[4-(bromomethyl)-3-fluoro-benzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylic acid methyl ester Formula: C21H18BrFN2O4 MolecularWeight: 461.281023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3=CC(=C(C=C3)CBr)F

Isomeric SMILES

CN(C)C(=O)N1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3=CC(=C(C=C3)CBr)F

InChI

InChI=1S/C21H18BrFN2O4/c1-24(2)21(28)25-11-15(18-14(20(27)29-3)5-4-6-17(18)25)19(26)12-7-8-13(10-22)16(23)9-12/h4-9,11H,10H2,1-3H3