4-azanyl-2-[2,3-bis(oxidanyl)propyl]-3-ethyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1CC(CO)O)C(=O)O)N

Isomeric SMILES

CCC1=C(C=CC(=C1CC(CO)O)C(=O)O)N

InChI

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