2-ethoxy-5-[2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-oxidanyl-ethyl]benzoic acid

Systemtic Name: 2-ethoxy-5-[2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-oxidanyl-ethyl]benzoic acid Openeye Name: 2-ethoxy-5-[1-hydroxy-2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]ethyl]benzoic acid CAS Name: 2-ethoxy-5-[1-hydroxy-2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]ethyl]benzoic acid IUPAC Name: 2-ethoxy-5-[1-hydroxy-2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]ethyl]benzoic acid Traditional Name: 2-ethoxy-5-[1-hydroxy-2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]ethyl]benzoic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNCC2COC3=C(O2)C=CC(=C3)C)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CNCC2COC3=C(O2)C=CC(=C3)C)O)C(=O)O

InChI

InChI=1S/C21H25NO6/c1-3-26-18-7-5-14(9-16(18)21(24)25)17(23)11-22-10-15-12-27-20-8-13(2)4-6-19(20)28-15/h4-9,15,17,22-23H,3,10-12H2,1-2H3,(H,24,25)