O2-tert-butyl O4-methyl 5-[[(5-bromanyl-2-fluoranyl-phenyl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-methyl 5-[[(5-bromanyl-2-fluoranyl-phenyl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[[(5-bromo-2-fluoro-phenyl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 5-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(5-bromo-2-fluoro-benzyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C21H26BrFN2O4 MolecularWeight: 469.344543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNCC2=C(C=CC(=C2)Br)F)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNCC2=C(C=CC(=C2)Br)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26BrFN2O4/c1-6-14-17(19(26)28-5)16(25-18(14)20(27)29-21(2,3)4)11-24-10-12-9-13(22)7-8-15(12)23/h7-9,24-25H,6,10-11H2,1-5H3