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Specification
The PubChem CID is 22319472.
The molecular formula is C15H20N2O4.
The molecular weight is 292.33 g/mol.
The IUPAC name is 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid.
The InChI is InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-4-5-10-6-7-11(9-12(18)19)16-13(10)17/h6-7H,4-5,8-9H2,1-3H3,(H,18,19).
The InChIKey is KCZSLOVKEZQJNT-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)CC(=O)O.
The CAS number is 445492-19-3.
The XLogP3-AA value is 1.8.
Yes, it is a canonicalized compound.
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