methyl 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21NO5/c1-24-20(23)16-6-2-15(3-7-16)13-21-19(22)9-5-14-4-8-17-18(12-14)26-11-10-25-17/h2-4,6-8,12H,5,9-11,13H2,1H3,(H,21,22)