3-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-oxazol-2-yl]propanoic acid

Systemtic Name: 3-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-oxazol-2-yl]propanoic acid Openeye Name: 3-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxazol-2-yl]propanoic acid CAS Name: 3-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxazolyl]propanoic acid IUPAC Name: 3-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-oxazol-2-yl]propanoic acid Traditional Name: 3-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxazol-2-yl]propionic acid Formula: C15H15NO5 MolecularWeight: 289.2833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CN=C(O3)CCC(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CN=C(O3)CCC(=O)O)OC1

InChI

InChI=1S/C15H15NO5/c17-15(18)5-4-14-16-9-13(21-14)10-2-3-11-12(8-10)20-7-1-6-19-11/h2-3,8-9H,1,4-7H2,(H,17,18)