3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-3-(3,4-dimethoxyphenyl)propionic acid Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7/c1-25-15-5-3-12(9-17(15)26-2)14(11-19(22)23)21-20(24)13-4-6-16-18(10-13)28-8-7-27-16/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,21,24)(H,22,23)