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

Systemtic Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methylphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-methyl-4-(5-methylol-2-furyl)phenyl]-piperonylamide Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(O4)CO

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(O4)CO

InChI

InChI=1S/C20H17NO5/c1-12-8-14(3-5-16(12)17-7-4-15(10-22)26-17)21-20(23)13-2-6-18-19(9-13)25-11-24-18/h2-9,22H,10-11H2,1H3,(H,21,23)