[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C22H18FN3O3 MolecularWeight: 391.395023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H18FN3O3/c1-14-11-20(15(2)26(14)19-9-5-17(23)6-10-19)22(28)29-13-21(27)25-18-7-3-16(12-24)4-8-18/h3-11H,13H2,1-2H3,(H,25,27)