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

Systemtic Name: 6-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid Openeye Name: 6-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid CAS Name: 6-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid IUPAC Name: 6-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid Traditional Name: 6-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5/c1-13(21-11-16(22)15-5-3-2-4-6-15)9-14-7-8-17-18(10-14)25-12-19(26-17)20(23)24/h2-8,10,13,16,19,21-22H,9,11-12H2,1H3,(H,23,24)