2,2-dimethyl-3-oxidanylidene-pentanoate; 4-fluoranyl-N-(oxocan-2-yl)benzamide

Systemtic Name: 2,2-dimethyl-3-oxidanylidene-pentanoate; 4-fluoranyl-N-(oxocan-2-yl)benzamide Openeye Name: 2,2-dimethyl-3-oxo-pentanoate; 4-fluoro-N-(oxocan-2-yl)benzamide CAS Name: 2,2-dimethyl-3-oxopentanoate; 4-fluoro-N-(2-oxocanyl)benzamide IUPAC Name: 2,2-dimethyl-3-oxopentanoate; 4-fluoro-N-(oxocan-2-yl)benzamide Traditional Name: 4-fluoro-N-(oxocan-2-yl)benzamide; 3-keto-2,2-dimethyl-valerate Formula: C21H29FNO5- MolecularWeight: 394.457063

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C)C(=O)[O-].C1CCCOC(CC1)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(=O)C(C)(C)C(=O)[O-].C1CCCOC(CC1)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H18FNO2.C7H12O3/c15-12-8-6-11(7-9-12)14(17)16-13-5-3-1-2-4-10-18-13;1-4-5(8)7(2,3)6(9)10/h6-9,13H,1-5,10H2,(H,16,17);4H2,1-3H3,(H,9,10)/p-1