methyl 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethanoyl]-2-oxidanyl-benzoate hydrochloride

Systemtic Name: methyl 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethanoyl]-2-oxidanyl-benzoate hydrochloride Openeye Name: methyl 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)acetyl]-2-hydroxy-benzoate hydrochloride CAS Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-oxoethyl]-2-hydroxybenzoic acid methyl ester hydrochloride IUPAC Name: methyl 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)acetyl]-2-hydroxybenzoate hydrochloride Traditional Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)acetyl]-2-hydroxy-benzoic acid methyl ester hydrochloride Formula: C19H20ClNO6 MolecularWeight: 393.8182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(=O)CNCC2COC3=CC=CC=C3O2)O.Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(=O)CNCC2COC3=CC=CC=C3O2)O.Cl

InChI

InChI=1S/C19H19NO6.ClH/c1-24-19(23)14-8-12(6-7-15(14)21)16(22)10-20-9-13-11-25-17-4-2-3-5-18(17)26-13;/h2-8,13,20-21H,9-11H2,1H3;1H