5-(4-fluoranyl-2-methoxy-phenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione

Systemtic Name: 5-(4-fluoranyl-2-methoxy-phenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Openeye Name: 5-(4-fluoro-2-methoxy-phenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindoline-1,3-dione CAS Name: 5-(4-fluoro-2-methoxyphenoxy)-2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]isoindole-1,3-dione IUPAC Name: 5-(4-fluoro-2-methoxyphenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-(4-fluoro-2-methoxy-phenoxy)-2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]isoindoline-1,3-quinone Formula: C28H27FN2O6 MolecularWeight: 506.522183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=C(C=C(C=C4)F)OC)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=C(C=C(C=C4)F)OC)OCCN5CCCC5

InChI

InChI=1S/C28H27FN2O6/c1-34-25-15-18(29)5-9-24(25)37-20-7-8-21-22(17-20)28(33)31(27(21)32)19-6-10-23(26(16-19)35-2)36-14-13-30-11-3-4-12-30/h5-10,15-17H,3-4,11-14H2,1-2H3