N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-[5-(hydroxymethyl)-2-furyl]-4-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-[5-(hydroxymethyl)-2-furanyl]-4-methoxyphenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-methoxy-3-(5-methylol-2-furyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(O4)CO

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(O4)CO

InChI

InChI=1S/C21H19NO6/c1-25-17-6-3-14(11-16(17)18-7-4-15(12-23)28-18)22-21(24)13-2-5-19-20(10-13)27-9-8-26-19/h2-7,10-11,23H,8-9,12H2,1H3,(H,22,24)