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

Systemtic Name: benzoic acid; 1-(2-oxidanylpropylamino)propan-2-ol Openeye Name: benzoic acid; 1-(2-hydroxypropylamino)propan-2-ol CAS Name: benzoic acid; 1-(2-hydroxypropylamino)-2-propanol IUPAC Name: benzoic acid; 1-(2-hydroxypropylamino)propan-2-ol Traditional Name: benzoic acid; 1-(2-hydroxypropylamino)propan-2-ol Formula: C13H21NO4 MolecularWeight: 255.31014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC(C)O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(CNCC(C)O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H6O2.C6H15NO2/c8-7(9)6-4-2-1-3-5-6;1-5(8)3-7-4-6(2)9/h1-5H,(H,8,9);5-9H,3-4H2,1-2H3