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The molecular formula is C19H27NO3.
The molecular weight is 317.4 g/mol.
The IUPAC name is ethyl 5-oxo-5-[3-(piperidin-1-ylmethyl)phenyl]pentanoate.
The InChI is InChI=1S/C19H27NO3/c1-2-23-19(22)11-7-10-18(21)17-9-6-8-16(14-17)15-20-12-4-3-5-13-20/h6,8-9,14H,2-5,7,10-13,15H2,1H3.
The InChIKey is QLXHSPCLPLVJBY-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)CCCC(=O)C1=CC=CC(=C1)CN2CCCCC2.
The CAS number is 898793-77-6.
The compound has 4 hydrogen bond acceptor counts.
The exact mass is 317.19909372 g/mol.
Yes, the compound is canonicalized.
898793-73-2
898793-74-3
898793-76-5
898793-78-7
898793-79-8
898793-80-1
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