methyl 4-(3,3-dimethyl-2-oxidanylidene-butyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: methyl 4-(3,3-dimethyl-2-oxidanylidene-butyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: methyl 4-(3,3-dimethyl-2-oxo-butyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-(3,3-dimethyl-2-oxobutyl)-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,3-dimethyl-2-oxobutyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-4-(2-keto-3,3-dimethyl-butyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid methyl ester Formula: C20H21FN2O3 MolecularWeight: 356.390743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=C1C(=O)OC)N(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=C1C(=O)OC)N(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O3/c1-20(2,3)18(24)12-23-15-9-10-22(14-7-5-13(21)6-8-14)16(15)11-17(23)19(25)26-4/h5-11H,12H2,1-4H3