4-[[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]methyl]benzoic acid CAS Name: 4-[[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]methyl]benzoic acid Formula: C14H19NO5 MolecularWeight: 281.30436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCC1=CC=C(C=C1)C(=O)O)O

Isomeric SMILES

CC(C)(CO)C(C(=O)NCC1=CC=C(C=C1)C(=O)O)O

InChI

InChI=1S/C14H19NO5/c1-14(2,8-16)11(17)12(18)15-7-9-3-5-10(6-4-9)13(19)20/h3-6,11,16-17H,7-8H2,1-2H3,(H,15,18)(H,19,20)