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

Systemtic Name: 4-tert-butyl-N-(oxocan-2-yl)benzamide; 2,2-dimethyl-3-oxidanylidene-pentanoate Openeye Name: 4-tert-butyl-N-(oxocan-2-yl)benzamide; 2,2-dimethyl-3-oxo-pentanoate CAS Name: 4-tert-butyl-N-(2-oxocanyl)benzamide; 2,2-dimethyl-3-oxopentanoate IUPAC Name: 4-tert-butyl-N-(oxocan-2-yl)benzamide; 2,2-dimethyl-3-oxopentanoate Traditional Name: 4-tert-butyl-N-(oxocan-2-yl)benzamide; 3-keto-2,2-dimethyl-valerate Formula: C25H38NO5- MolecularWeight: 432.57292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCCCCCO2

Isomeric SMILES

CCC(=O)C(C)(C)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCCCCCO2

InChI

InChI=1S/C18H27NO2.C7H12O3/c1-18(2,3)15-11-9-14(10-12-15)17(20)19-16-8-6-4-5-7-13-21-16;1-4-5(8)7(2,3)6(9)10/h9-12,16H,4-8,13H2,1-3H3,(H,19,20);4H2,1-3H3,(H,9,10)/p-1