methyl 4-[[3-(1,3-benzodioxol-5-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(1,3-benzodioxol-5-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(1,3-benzodioxol-5-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzodioxol-5-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19NO5/c1-23-19(22)15-6-2-14(3-7-15)11-20-18(21)9-5-13-4-8-16-17(10-13)25-12-24-16/h2-4,6-8,10H,5,9,11-12H2,1H3,(H,20,21)