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

Systemtic Name: 2-[cyclohexyl-[4-(2-quinolin-2-ylethyl)phenyl]methoxy]isoindole-1,3-dione Openeye Name: 2-[cyclohexyl-[4-[2-(2-quinolyl)ethyl]phenyl]methoxy]isoindoline-1,3-dione CAS Name: 2-[cyclohexyl-[4-[2-(2-quinolinyl)ethyl]phenyl]methoxy]isoindole-1,3-dione IUPAC Name: 2-[cyclohexyl-[4-(2-quinolin-2-ylethyl)phenyl]methoxy]isoindole-1,3-dione Traditional Name: 2-[cyclohexyl-[4-[2-(2-quinolyl)ethyl]phenyl]methoxy]isoindoline-1,3-quinone Formula: C32H30N2O3 MolecularWeight: 490.5922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)CCC3=NC4=CC=CC=C4C=C3)ON5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)CCC3=NC4=CC=CC=C4C=C3)ON5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C32H30N2O3/c35-31-27-11-5-6-12-28(27)32(36)34(31)37-30(24-9-2-1-3-10-24)25-17-14-22(15-18-25)16-20-26-21-19-23-8-4-7-13-29(23)33-26/h4-8,11-15,17-19,21,24,30H,1-3,9-10,16,20H2