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

Systemtic Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[5-[5-(hydroxymethyl)-2-furyl]-2-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methylphenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-methyl-5-(5-methylol-2-furyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19NO5/c1-13-2-3-14(18-7-5-16(12-23)27-18)10-17(13)22-21(24)15-4-6-19-20(11-15)26-9-8-25-19/h2-7,10-11,23H,8-9,12H2,1H3,(H,22,24)