1-[(2-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-[(2-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-[(2-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[(2-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-[(2-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(2-fluorobenzyl)-2,5-dimethyl-pyrrole-3-carboxylate Formula: C14H13FNO2- MolecularWeight: 246.256923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2F)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2F)C)C(=O)[O-]

InChI

InChI=1S/C14H14FNO2/c1-9-7-12(14(17)18)10(2)16(9)8-11-5-3-4-6-13(11)15/h3-7H,8H2,1-2H3,(H,17,18)/p-1