O4-[(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[(1R)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester O2-ethyl ester IUPAC Name: 4-O-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(1R)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester O2-ethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)C2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)O[C@H](C)C(=O)C2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C21H25NO5/c1-7-26-21(25)18-13(4)17(14(5)22-18)20(24)27-15(6)19(23)16-9-8-11(2)12(3)10-16/h8-10,15,22H,7H2,1-6H3/t15-/m1/s1