2-[cyclohexyl-[4-(pyridin-2-ylmethoxy)phenyl]methoxy]isoindole-1,3-dione

Systemtic Name: 2-[cyclohexyl-[4-(pyridin-2-ylmethoxy)phenyl]methoxy]isoindole-1,3-dione Openeye Name: 2-[cyclohexyl-[4-(2-pyridylmethoxy)phenyl]methoxy]isoindoline-1,3-dione CAS Name: 2-[cyclohexyl-[4-(2-pyridinylmethoxy)phenyl]methoxy]isoindole-1,3-dione IUPAC Name: 2-[cyclohexyl-[4-(pyridin-2-ylmethoxy)phenyl]methoxy]isoindole-1,3-dione Traditional Name: 2-[cyclohexyl-[4-(2-pyridylmethoxy)phenyl]methoxy]isoindoline-1,3-quinone Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=CC=CC=N3)ON4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=CC=CC=N3)ON4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H26N2O4/c30-26-23-11-4-5-12-24(23)27(31)29(26)33-25(19-8-2-1-3-9-19)20-13-15-22(16-14-20)32-18-21-10-6-7-17-28-21/h4-7,10-17,19,25H,1-3,8-9,18H2