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

Systemtic Name: 3-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)propanoic acid Openeye Name: 3-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)propanoic acid CAS Name: 3-(4-chlorophenyl)-3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)propanoic acid Traditional Name: 3-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)propionic acid Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO5/c19-13-4-1-11(2-5-13)14(10-17(21)22)20-18(23)12-3-6-15-16(9-12)25-8-7-24-15/h1-6,9,14H,7-8,10H2,(H,20,23)(H,21,22)