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

Systemtic Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methylphenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-methyl-4-(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=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(O4)CO

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(O4)CO

InChI

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