N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)C3COC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)C3COC4=CC=CC=C4O3)OC

InChI

InChI=1S/C21H20N2O6/c1-25-15-8-7-13(9-19(15)26-2)18-10-14(23-29-18)11-22-21(24)20-12-27-16-5-3-4-6-17(16)28-20/h3-10,20H,11-12H2,1-2H3,(H,22,24)