940006-25-7 Purity
96%
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The molecular formula is C18H17NO3.
The synonyms are trans-1-benzoyl-4-phenyl-l-proline, trans-1-Benzoyl-4-phenylpyrrolidine-2-carboxylic acid, and Proline,1-benzoyl-4-phenyl.
The molecular weight is 295.3 g/mol.
It was created on September 7, 2010.
It was last modified on December 30, 2023.
The IUPAC name is (2S,4S)-1-benzoyl-4-phenylpyrrolidine-2-carboxylic acid.
The InChI is InChI=1S/C18H17NO3/c20-17(14-9-5-2-6-10-14)19-12-15(11-16(19)18(21)22)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,21,22)/t15-,16+/m1/s1.
The InChIKey is NJMASXVCJXPDME-CVEARBPZSA-N.
The canonical SMILES is C1C(CN(C1C(=O)O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3.
The computed XLogP3-AA value is 2.9.