[2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(2-fluorophenyl)-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [2-(2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-fluorophenyl)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(2-fluorophenyl)-2-keto-ethyl] ester Formula: C22H20FNO3 MolecularWeight: 365.397503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H20FNO3/c1-15-12-19(16(2)24(15)13-17-8-4-3-5-9-17)22(26)27-14-21(25)18-10-6-7-11-20(18)23/h3-12H,13-14H2,1-2H3