6-[2-[(3-oxidanyl-3-phenyl-propyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

Systemtic Name: 6-[2-[(3-oxidanyl-3-phenyl-propyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid Openeye Name: 6-[2-[(3-hydroxy-3-phenyl-propyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid CAS Name: 6-[2-[(3-hydroxy-3-phenylpropyl)amino]propyl]-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid IUPAC Name: 6-[2-[(3-hydroxy-3-phenylpropyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid Traditional Name: 6-[2-[(3-hydroxy-3-phenyl-propyl)amino]propyl]-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(CO2)C(=O)O)NCCC(C3=CC=CC=C3)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(CO2)C(=O)O)NCCC(C3=CC=CC=C3)O

InChI

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