methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholino-benzoate CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-4-morpholino-benzoic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

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