methyl 4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: methyl 4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: methyl 4-[2-(diisopropylamino)-2-oxo-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-[2-[di(propan-2-yl)amino]-2-oxoethyl]-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[di(propan-2-yl)amino]-2-oxoethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-[2-(diisopropylamino)-2-keto-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid methyl ester Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O3/c1-14(2)26(15(3)4)21(27)13-25-18-10-11-24(17-8-6-16(23)7-9-17)19(18)12-20(25)22(28)29-5/h6-12,14-15H,13H2,1-5H3