O2-[1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester O4-isopropyl ester Formula: C22H27FN2O5 MolecularWeight: 418.458583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OC(C)C(=O)N(C)CC2=CC(=CC=C2)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OC(C)C(=O)N(C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C22H27FN2O5/c1-12(2)29-21(27)18-13(3)19(24-14(18)4)22(28)30-15(5)20(26)25(6)11-16-8-7-9-17(23)10-16/h7-10,12,15,24H,11H2,1-6H3