2'-[(3-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 2'-[(3-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 2'-[(3-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 2'-[(3-chlorophenyl)methylamino]-6'-(dibutylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 2'-[(3-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 2'-[(3-chlorobenzyl)amino]-6'-(dibutylamino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C35H35ClN2O3 MolecularWeight: 567.117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NCC6=CC(=CC=C6)Cl

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NCC6=CC(=CC=C6)Cl

InChI

InChI=1S/C35H35ClN2O3/c1-3-5-18-38(19-6-4-2)27-15-16-30-33(22-27)40-32-17-14-26(37-23-24-10-9-11-25(36)20-24)21-31(32)35(30)29-13-8-7-12-28(29)34(39)41-35/h7-17,20-22,37H,3-6,18-19,23H2,1-2H3