methyl 5-[[3-(1,3-benzodioxol-5-yl)propanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[3-(1,3-benzodioxol-5-yl)propanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[3-(1,3-benzodioxol-5-yl)propanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-methylamino]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(1,3-benzodioxol-5-yl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[3-(1,3-benzodioxol-5-yl)propanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN(C)C(=O)CCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CN(C)C(=O)CCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C19H21NO6/c1-12-15(19(22)23-3)9-14(26-12)10-20(2)18(21)7-5-13-4-6-16-17(8-13)25-11-24-16/h4,6,8-9H,5,7,10-11H2,1-3H3