ethyl 3-[4-ethoxy-2,3,5,6-tetrakis(fluoranyl)phenyl]-4-phenyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-[4-ethoxy-2,3,5,6-tetrakis(fluoranyl)phenyl]-4-phenyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-(4-ethoxy-2,3,5,6-tetrafluoro-phenyl)-4-phenyl-1H-pyrrole-2-carboxylate CAS Name: 3-(4-ethoxy-2,3,5,6-tetrafluorophenyl)-4-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-ethoxy-2,3,5,6-tetrafluorophenyl)-4-phenyl-1H-pyrrole-2-carboxylate Traditional Name: 3-(4-ethoxy-2,3,5,6-tetrafluoro-phenyl)-4-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H17F4NO3 MolecularWeight: 407.358193

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1F)F)C2=C(NC=C2C3=CC=CC=C3)C(=O)OCC)F)F

Isomeric SMILES

CCOC1=C(C(=C(C(=C1F)F)C2=C(NC=C2C3=CC=CC=C3)C(=O)OCC)F)F

InChI

InChI=1S/C21H17F4NO3/c1-3-28-20-17(24)15(22)14(16(23)18(20)25)13-12(11-8-6-5-7-9-11)10-26-19(13)21(27)29-4-2/h5-10,26H,3-4H2,1-2H3