2'-[(2-chlorophenyl)amino]-6'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 2'-[(2-chlorophenyl)amino]-6'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 2'-(2-chloroanilino)-6'-[ethyl(isopentyl)amino]spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 2'-(2-chloroanilino)-6'-[ethyl(3-methylbutyl)amino]-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 2'-(2-chloroanilino)-6'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 2'-(2-chloroanilino)-6'-[ethyl(isoamyl)amino]spiro[phthalan-3,9'-xanthene]-1-one Formula: C33H31ClN2O3 MolecularWeight: 539.06384

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(C)C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6Cl

Isomeric SMILES

CCN(CCC(C)C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6Cl

InChI

InChI=1S/C33H31ClN2O3/c1-4-36(18-17-21(2)3)23-14-15-26-31(20-23)38-30-16-13-22(35-29-12-8-7-11-28(29)34)19-27(30)33(26)25-10-6-5-9-24(25)32(37)39-33/h5-16,19-21,35H,4,17-18H2,1-3H3