(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(C)(C)C)NC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)C(C)(C)C)NC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C22H33NO4/c1-14(2)18(20(26)27-13-17(24)22(6,7)8)23-19(25)15-9-11-16(12-10-15)21(3,4)5/h9-12,14,18H,13H2,1-8H3,(H,23,25)