7-(butylamino)-5-methyl-4-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 7-(butylamino)-5-methyl-4-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 4-anilino-7-(butylamino)-5-methyl-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 4-anilino-7-(butylamino)-5-methyl-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 4-anilino-7-(butylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 4-anilino-7-(butylamino)-5-methyl-spiro[phthalan-3,9'-xanthene]-1-one Formula: C31H28N2O3 MolecularWeight: 476.56562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C(=C(C(=C1)C)NC3=CC=CC=C3)C4(C5=CC=CC=C5OC6=CC=CC=C64)OC2=O

Isomeric SMILES

CCCCNC1=C2C(=C(C(=C1)C)NC3=CC=CC=C3)C4(C5=CC=CC=C5OC6=CC=CC=C64)OC2=O

InChI

InChI=1S/C31H28N2O3/c1-3-4-18-32-24-19-20(2)29(33-21-12-6-5-7-13-21)28-27(24)30(34)36-31(28)22-14-8-10-16-25(22)35-26-17-11-9-15-23(26)31/h5-17,19,32-33H,3-4,18H2,1-2H3