ethyl 4-[3,3-bis(oxidanyl)propylamino]benzoate

Systemtic Name: ethyl 4-[3,3-bis(oxidanyl)propylamino]benzoate Openeye Name: ethyl 4-(3,3-dihydroxypropylamino)benzoate CAS Name: 4-(3,3-dihydroxypropylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3,3-dihydroxypropylamino)benzoate Traditional Name: 4-(3,3-dihydroxypropylamino)benzoic acid ethyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCC(O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCC(O)O

InChI

InChI=1S/C12H17NO4/c1-2-17-12(16)9-3-5-10(6-4-9)13-8-7-11(14)15/h3-6,11,13-15H,2,7-8H2,1H3