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

Systemtic Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[5-[5-(hydroxymethyl)-2-furyl]-2-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-methoxy-5-(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)C2=CC=C(O2)CO)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

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