5-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-N-homoveratryl-isoxazole-3-carboxamide Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4)OC

InChI

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