methyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5-morpholino-benzoate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5-morpholin-4-ylbenzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-5-morpholino-benzoic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O6/c1-26-21(25)15-12-14(23-8-10-27-11-9-23)6-7-16(15)22-20(24)19-13-28-17-4-2-3-5-18(17)29-19/h2-7,12,19H,8-11,13H2,1H3,(H,22,24)