ethyl 4-[4-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[4-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-[(4-bromo-2-fluoro-phenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[4-[(4-bromo-2-fluoroanilino)-oxomethyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-bromo-2-fluorophenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[(4-bromo-2-fluoro-phenyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H20BrFN2O3 MolecularWeight: 459.308203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C22H20BrFN2O3/c1-4-29-22(28)20-12(2)19(13(3)25-20)14-5-7-15(8-6-14)21(27)26-18-10-9-16(23)11-17(18)24/h5-11,25H,4H2,1-3H3,(H,26,27)