2-ethylbenzoic acid; 1-(2-oxidanylpropylamino)propan-2-ol

Systemtic Name: 2-ethylbenzoic acid; 1-(2-oxidanylpropylamino)propan-2-ol Openeye Name: 2-ethylbenzoic acid; 1-(2-hydroxypropylamino)propan-2-ol CAS Name: 2-ethylbenzoic acid; 1-(2-hydroxypropylamino)-2-propanol IUPAC Name: 2-ethylbenzoic acid; 1-(2-hydroxypropylamino)propan-2-ol Traditional Name: 2-ethylbenzoic acid; 1-(2-hydroxypropylamino)propan-2-ol Formula: C15H25NO4 MolecularWeight: 283.3633

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)O.CC(CNCC(C)O)O

Isomeric SMILES

CCC1=CC=CC=C1C(=O)O.CC(CNCC(C)O)O

InChI

InChI=1S/C9H10O2.C6H15NO2/c1-2-7-5-3-4-6-8(7)9(10)11;1-5(8)3-7-4-6(2)9/h3-6H,2H2,1H3,(H,10,11);5-9H,3-4H2,1-2H3