(phenylmethyl) 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (phenylmethyl) 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: benzyl 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid (phenylmethyl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: benzyl 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 5-methyl-1-pyrroline-2-carboxylic acid benzyl ester; 2,2,2-trifluoroacetic acid Formula: C15H16F3NO4 MolecularWeight: 331.28705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(CC1)C(=O)OCC2=CC=CC=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=NC(CC1)C(=O)OCC2=CC=CC=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H15NO2.C2HF3O2/c1-10-7-8-12(14-10)13(15)16-9-11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-6,12H,7-9H2,1H3;(H,6,7)