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

Systemtic Name: O4-[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[(1R)-2-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester O2-ethyl ester IUPAC Name: 4-O-[(2R)-1-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester O2-ethyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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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)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)C)C

InChI

InChI=1S/C23H29NO5/c1-8-28-22(27)19-13(2)18(14(3)24-19)21(26)29-15(4)20(25)16-9-11-17(12-10-16)23(5,6)7/h9-12,15,24H,8H2,1-7H3/t15-/m1/s1