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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-(4-ethoxyphenyl)propanoic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(4-ethoxyphenyl)propanoic acid CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-3-(4-ethoxyphenyl)propanoic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(4-ethoxyphenyl)propanoic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-3-p-phenetyl-propionic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21NO6/c1-2-25-15-6-3-13(4-7-15)16(12-19(22)23)21-20(24)14-5-8-17-18(11-14)27-10-9-26-17/h3-8,11,16H,2,9-10,12H2,1H3,(H,21,24)(H,22,23)