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

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(3-fluoranyl-4-methoxy-phenyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[(3-fluoro-4-methoxy-anilino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[(3-fluoro-4-methoxyanilino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 3-ethyl-5-[(3-fluoro-4-methoxyanilino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[(3-fluoro-4-methoxy-anilino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C21H27FN2O5 MolecularWeight: 406.447883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2=CC(=C(C=C2)OC)F)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2=CC(=C(C=C2)OC)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27FN2O5/c1-7-13-17(19(25)28-6)15(24-18(13)20(26)29-21(2,3)4)11-23-12-8-9-16(27-5)14(22)10-12/h8-10,23-24H,7,11H2,1-6H3