ethyl 5-(4-chlorophenyl)-3-(cyanomethyl)-4-fluoranyl-1-(4-methoxyphenyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-(cyanomethyl)-4-fluoranyl-1-(4-methoxyphenyl)pyrrole-2-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-3-(cyanomethyl)-4-fluoro-1-(4-methoxyphenyl)pyrrole-2-carboxylate CAS Name: 5-(4-chlorophenyl)-3-(cyanomethyl)-4-fluoro-1-(4-methoxyphenyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-3-(cyanomethyl)-4-fluoro-1-(4-methoxyphenyl)pyrrole-2-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-(cyanomethyl)-4-fluoro-1-(4-methoxyphenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C22H18ClFN2O3 MolecularWeight: 412.841323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl)F)CC#N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl)F)CC#N

InChI

InChI=1S/C22H18ClFN2O3/c1-3-29-22(27)21-18(12-13-25)19(24)20(14-4-6-15(23)7-5-14)26(21)16-8-10-17(28-2)11-9-16/h4-11H,3,12H2,1-2H3