2-[[3,4,5-tris(oxidanyl)phenyl]carbonylamino]ethyl 2-methylbutanoate

Systemtic Name: 2-[[3,4,5-tris(oxidanyl)phenyl]carbonylamino]ethyl 2-methylbutanoate Openeye Name: 2-[(3,4,5-trihydroxybenzoyl)amino]ethyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 2-[[oxo-(3,4,5-trihydroxyphenyl)methyl]amino]ethyl ester IUPAC Name: 2-[(3,4,5-trihydroxybenzoyl)amino]ethyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 2-(galloylamino)ethyl ester Formula: C14H19NO6 MolecularWeight: 297.30376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCNC(=O)C1=CC(=C(C(=C1)O)O)O

Isomeric SMILES

CCC(C)C(=O)OCCNC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C14H19NO6/c1-3-8(2)14(20)21-5-4-15-13(19)9-6-10(16)12(18)11(17)7-9/h6-8,16-18H,3-5H2,1-2H3,(H,15,19)