3,3-bis(oxidanyl)propyl 4-azanyl-2-ethyl-benzoate

Systemtic Name: 3,3-bis(oxidanyl)propyl 4-azanyl-2-ethyl-benzoate Openeye Name: 3,3-dihydroxypropyl 4-amino-2-ethyl-benzoate CAS Name: 4-amino-2-ethylbenzoic acid 3,3-dihydroxypropyl ester IUPAC Name: 3,3-dihydroxypropyl 4-amino-2-ethylbenzoate Traditional Name: 4-amino-2-ethyl-benzoic acid 3,3-dihydroxypropyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)N)C(=O)OCCC(O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)N)C(=O)OCCC(O)O

InChI

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