[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)carbonylamino]propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 3-[(2-methoxybenzoyl)amino]propanoate CAS Name: 3-[[(2-methoxyphenyl)-oxomethyl]amino]propanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate Traditional Name: 3-(o-anisoylamino)propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H21NO7/c1-26-17-5-3-2-4-15(17)21(25)22-9-8-20(24)29-13-16(23)14-6-7-18-19(12-14)28-11-10-27-18/h2-7,12H,8-11,13H2,1H3,(H,22,25)