(phenylmethyl) 4-methyl-3-[2,2,2-tris(fluoranyl)-1-methoxy-ethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-methyl-3-[2,2,2-tris(fluoranyl)-1-methoxy-ethyl]-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-methyl-3-(2,2,2-trifluoro-1-methoxy-ethyl)-1H-pyrrole-2-carboxylate CAS Name: 4-methyl-3-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-3-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-methyl-3-(2,2,2-trifluoro-1-methoxy-ethyl)-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C16H16F3NO3 MolecularWeight: 327.29835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1C(C(F)(F)F)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CNC(=C1C(C(F)(F)F)OC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16F3NO3/c1-10-8-20-13(12(10)14(22-2)16(17,18)19)15(21)23-9-11-6-4-3-5-7-11/h3-8,14,20H,9H2,1-2H3