ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate CAS Name: 5-(4-fluorophenyl)-2-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-(tert-amylamino)-2-keto-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27FN2O3 MolecularWeight: 374.449083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)OCC)C

Isomeric SMILES

CCC(C)(C)NC(=O)CN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)OCC)C

InChI

InChI=1S/C21H27FN2O3/c1-6-21(4,5)23-19(25)13-24-14(3)17(20(26)27-7-2)12-18(24)15-8-10-16(22)11-9-15/h8-12H,6-7,13H2,1-5H3,(H,23,25)