tert-butyl 3-ethyl-4-(4-fluorophenyl)-5-methanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-ethyl-4-(4-fluorophenyl)-5-methanoyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-4-(4-fluorophenyl)-5-formyl-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-4-(4-fluorophenyl)-5-formyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-4-(4-fluorophenyl)-5-formyl-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-4-(4-fluorophenyl)-5-formyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C18H20FNO3 MolecularWeight: 317.354703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C2=CC=C(C=C2)F)C=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C2=CC=C(C=C2)F)C=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H20FNO3/c1-5-13-15(11-6-8-12(19)9-7-11)14(10-21)20-16(13)17(22)23-18(2,3)4/h6-10,20H,5H2,1-4H3