92975-18-3 Purity
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Specification
The molecular formula is C16H19NO2.
The synonyms are ETHYL-1-BENZYL-2,4-DIMETHYLPYRROLE-3-CARBOXYLATE, Ethyl 1-benzyl-2,4-dimethyl-1H-pyrrole-3-carboxylate, and FT-0722163.
The molecular weight is 257.33 g/mol.
It was created on July 12, 2012.
It was last modified on December 30, 2023.
The IUPAC name is ethyl 1-benzyl-2,4-dimethylpyrrole-3-carboxylate.
The InChI is InChI=1S/C16H19NO2/c1-4-19-16(18)15-12(2)10-17(13(15)3)11-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3.
The InChIKey is PYSHIDBVTJKBEE-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)C1=C(N(C=C1C)CC2=CC=CC=C2)C.
The XLogP3-AA value is 3.2.