7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 3-(2-oxidanylpropylamino)butanamide

Systemtic Name: 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 3-(2-oxidanylpropylamino)butanamide Openeye Name: 3-(2-hydroxypropylamino)butanamide; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ol CAS Name: 3-(2-hydroxypropylamino)butanamide; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ol IUPAC Name: 3-(2-hydroxypropylamino)butanamide; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ol Traditional Name: 3-(2-hydroxypropylamino)butyramide; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ol Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N)NCC(C)O.C1=CC2=C(C=C1O2)O

Isomeric SMILES

CC(CC(=O)N)NCC(C)O.C1=CC2=C(C=C1O2)O

InChI

InChI=1S/C7H16N2O2.C6H4O2/c1-5(3-7(8)11)9-4-6(2)10;7-5-3-4-1-2-6(5)8-4/h5-6,9-10H,3-4H2,1-2H3,(H2,8,11);1-3,7H