2-[2-[(3-oxidanyl-3-phenyl-propyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 2-[2-[(3-oxidanyl-3-phenyl-propyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 2-[2-[(3-hydroxy-3-phenyl-propyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 2-[2-[(3-hydroxy-3-phenylpropyl)amino]propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 2-[2-[(3-hydroxy-3-phenylpropyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 2-[2-[(3-hydroxy-3-phenyl-propyl)amino]propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C21H25NO5 MolecularWeight: 371.4269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C(OC2=CC=CC=C2O1)C(=O)O)NCCC(C3=CC=CC=C3)O

Isomeric SMILES

CC(CC1C(OC2=CC=CC=C2O1)C(=O)O)NCCC(C3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO5/c1-14(22-12-11-16(23)15-7-3-2-4-8-15)13-19-20(21(24)25)27-18-10-6-5-9-17(18)26-19/h2-10,14,16,19-20,22-23H,11-13H2,1H3,(H,24,25)