2-[cyclohexyl-[4-(quinolin-2-yloxymethyl)phenyl]methoxy]isoindole-1,3-dione

Systemtic Name: 2-[cyclohexyl-[4-(quinolin-2-yloxymethyl)phenyl]methoxy]isoindole-1,3-dione Openeye Name: 2-[cyclohexyl-[4-(2-quinolyloxymethyl)phenyl]methoxy]isoindoline-1,3-dione CAS Name: 2-[cyclohexyl-[4-(2-quinolinyloxymethyl)phenyl]methoxy]isoindole-1,3-dione IUPAC Name: 2-[cyclohexyl-[4-(quinolin-2-yloxymethyl)phenyl]methoxy]isoindole-1,3-dione Traditional Name: 2-[cyclohexyl-[4-(2-quinolyloxymethyl)phenyl]methoxy]isoindoline-1,3-quinone Formula: C31H28N2O4 MolecularWeight: 492.56502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)COC3=NC4=CC=CC=C4C=C3)ON5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)COC3=NC4=CC=CC=C4C=C3)ON5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C31H28N2O4/c34-30-25-11-5-6-12-26(25)31(35)33(30)37-29(23-9-2-1-3-10-23)24-16-14-21(15-17-24)20-36-28-19-18-22-8-4-7-13-27(22)32-28/h4-8,11-19,23,29H,1-3,9-10,20H2