5-(dimethylamino)-7-(2-phenylazanylpentadecan-3-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 5-(dimethylamino)-7-(2-phenylazanylpentadecan-3-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 7-[1-(1-anilinoethyl)tridecyl]-5-(dimethylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 7-(2-anilinopentadecan-3-yl)-5-(dimethylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 7-(2-anilinopentadecan-3-yl)-5-(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 7-[1-(1-anilinoethyl)tridecyl]-5-(dimethylamino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C43H52N2O3 MolecularWeight: 644.88458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=C2C(=CC(=C1)N(C)C)C3(C4=CC=CC=C4OC5=CC=CC=C53)OC2=O)C(C)NC6=CC=CC=C6

Isomeric SMILES

CCCCCCCCCCCCC(C1=C2C(=CC(=C1)N(C)C)C3(C4=CC=CC=C4OC5=CC=CC=C53)OC2=O)C(C)NC6=CC=CC=C6

InChI

InChI=1S/C43H52N2O3/c1-5-6-7-8-9-10-11-12-13-17-24-34(31(2)44-32-22-15-14-16-23-32)35-29-33(45(3)4)30-38-41(35)42(46)48-43(38)36-25-18-20-27-39(36)47-40-28-21-19-26-37(40)43/h14-16,18-23,25-31,34,44H,5-13,17,24H2,1-4H3