4-azanyl-2-(3-oxidanylpentan-3-yl)benzoic acid

Systemtic Name: 4-azanyl-2-(3-oxidanylpentan-3-yl)benzoic acid Openeye Name: 4-amino-2-(1-ethyl-1-hydroxy-propyl)benzoic acid CAS Name: 4-amino-2-(3-hydroxypentan-3-yl)benzoic acid IUPAC Name: 4-amino-2-(3-hydroxypentan-3-yl)benzoic acid Traditional Name: 4-amino-2-(1-ethyl-1-hydroxy-propyl)benzoic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-3-12(16,4-2)10-7-8(13)5-6-9(10)11(14)15/h5-7,16H,3-4,13H2,1-2H3,(H,14,15)