6'-(diethylamino)-3'-methyl-2'-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 6'-(diethylamino)-3'-methyl-2'-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 6'-(diethylamino)-3'-methyl-2'-(octylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 6'-(diethylamino)-3'-methyl-2'-(octylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 6'-(diethylamino)-3'-methyl-2'-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 6'-(diethylamino)-3'-methyl-2'-(octylamino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C33H40N2O3 MolecularWeight: 512.6823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=C(C=C2C(=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)O3)C

Isomeric SMILES

CCCCCCCCNC1=C(C=C2C(=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)O3)C

InChI

InChI=1S/C33H40N2O3/c1-5-8-9-10-11-14-19-34-29-22-28-30(20-23(29)4)37-31-21-24(35(6-2)7-3)17-18-27(31)33(28)26-16-13-12-15-25(26)32(36)38-33/h12-13,15-18,20-22,34H,5-11,14,19H2,1-4H3