[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C22H21FN2O3/c1-14-13-18(15(2)25(14)17-9-5-4-6-10-17)22(27)28-16(3)21(26)24-20-12-8-7-11-19(20)23/h4-13,16H,1-3H3,(H,24,26)