[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC(=CN2C)C(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)C2=CC(=CN2C)C(=O)C)C)C

InChI

InChI=1S/C20H23NO4/c1-11-7-13(3)17(8-12(11)2)19(23)15(5)25-20(24)18-9-16(14(4)22)10-21(18)6/h7-10,15H,1-6H3/t15-/m0/s1