2-[2,2-dimethyl-3-(3-oxidanylidene-3-pyridin-3-yl-propanoyl)cyclobutyl]ethanoic acid

Systemtic Name: 2-[2,2-dimethyl-3-(3-oxidanylidene-3-pyridin-3-yl-propanoyl)cyclobutyl]ethanoic acid Openeye Name: 2-[2,2-dimethyl-3-[3-oxo-3-(3-pyridyl)propanoyl]cyclobutyl]acetic acid CAS Name: 2-[3-[1,3-dioxo-3-(3-pyridinyl)propyl]-2,2-dimethylcyclobutyl]acetic acid IUPAC Name: 2-[2,2-dimethyl-3-(3-oxo-3-pyridin-3-ylpropanoyl)cyclobutyl]acetic acid Traditional Name: 2-[3-[3-keto-3-(3-pyridyl)propanoyl]-2,2-dimethyl-cyclobutyl]acetic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC1C(=O)CC(=O)C2=CN=CC=C2)CC(=O)O)C

Isomeric SMILES

CC1(C(CC1C(=O)CC(=O)C2=CN=CC=C2)CC(=O)O)C

InChI

InChI=1S/C16H19NO4/c1-16(2)11(7-15(20)21)6-12(16)14(19)8-13(18)10-4-3-5-17-9-10/h3-5,9,11-12H,6-8H2,1-2H3,(H,20,21)