2,3-dihydro-1,4-benzodioxin-3-ylmethyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-propenoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2COC3=CC=CC=C3O2)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2COC3=CC=CC=C3O2)OCC(=O)N

InChI

InChI=1S/C21H21NO7/c1-25-19-10-14(6-8-17(19)27-13-20(22)23)7-9-21(24)28-12-15-11-26-16-4-2-3-5-18(16)29-15/h2-10,15H,11-13H2,1H3,(H2,22,23)/b9-7+