methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(C=C2)OCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(C=C2)OCCO3)OC

InChI

InChI=1S/C21H23NO7/c1-25-16-6-4-13(10-18(16)26-2)15(12-20(23)27-3)22-21(24)14-5-7-17-19(11-14)29-9-8-28-17/h4-7,10-11,15H,8-9,12H2,1-3H3,(H,22,24)