7-(dibutylamino)-5-methyl-4-[(3-methylphenyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 7-(dibutylamino)-5-methyl-4-[(3-methylphenyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 7-(dibutylamino)-5-methyl-4-(3-methylanilino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 7-(dibutylamino)-5-methyl-4-(3-methylanilino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 7-(dibutylamino)-5-methyl-4-(3-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 7-(dibutylamino)-5-methyl-4-(m-toluidino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C36H38N2O3 MolecularWeight: 546.69852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C2C(=C(C(=C1)C)NC3=CC=CC(=C3)C)C4(C5=CC=CC=C5OC6=CC=CC=C64)OC2=O

Isomeric SMILES

CCCCN(CCCC)C1=C2C(=C(C(=C1)C)NC3=CC=CC(=C3)C)C4(C5=CC=CC=C5OC6=CC=CC=C64)OC2=O

InChI

InChI=1S/C36H38N2O3/c1-5-7-20-38(21-8-6-2)29-23-25(4)34(37-26-15-13-14-24(3)22-26)33-32(29)35(39)41-36(33)27-16-9-11-18-30(27)40-31-19-12-10-17-28(31)36/h9-19,22-23,37H,5-8,20-21H2,1-4H3