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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C21H25NO5/c1-6-15-8-10-16(11-9-15)19(23)14(5)27-21(25)18-12(3)17(13(4)22-18)20(24)26-7-2/h8-11,14,22H,6-7H2,1-5H3/t14-/m0/s1