7-butyl-5-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 7-butyl-5-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 7-butyl-5-(diethylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 7-butyl-5-(diethylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 7-butyl-5-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 7-butyl-5-(diethylamino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C28H29NO3 MolecularWeight: 427.53476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC(=C1)N(CC)CC)C3(C4=CC=CC=C4OC5=CC=CC=C53)OC2=O

Isomeric SMILES

CCCCC1=C2C(=CC(=C1)N(CC)CC)C3(C4=CC=CC=C4OC5=CC=CC=C53)OC2=O

InChI

InChI=1S/C28H29NO3/c1-4-7-12-19-17-20(29(5-2)6-3)18-23-26(19)27(30)32-28(23)21-13-8-10-15-24(21)31-25-16-11-9-14-22(25)28/h8-11,13-18H,4-7,12H2,1-3H3