2-[[2,5-bis(oxidanyl)phenyl]carbonylamino]ethyl dodecanoate

Systemtic Name: 2-[[2,5-bis(oxidanyl)phenyl]carbonylamino]ethyl dodecanoate Openeye Name: 2-[(2,5-dihydroxybenzoyl)amino]ethyl dodecanoate CAS Name: dodecanoic acid 2-[[(2,5-dihydroxyphenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(2,5-dihydroxybenzoyl)amino]ethyl dodecanoate Traditional Name: lauric acid 2-(gentisoylamino)ethyl ester Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO5/c1-2-3-4-5-6-7-8-9-10-11-20(25)27-15-14-22-21(26)18-16-17(23)12-13-19(18)24/h12-13,16,23-24H,2-11,14-15H2,1H3,(H,22,26)