2-[2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexoxy]isoindole-1,3-dione

Systemtic Name: 2-[2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexoxy]isoindole-1,3-dione Openeye Name: 2-[2-butyl-1-[4-(2-quinolylmethoxy)phenyl]hexoxy]isoindoline-1,3-dione CAS Name: 2-[2-butyl-1-[4-(2-quinolinylmethoxy)phenyl]hexoxy]isoindole-1,3-dione IUPAC Name: 2-[2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexoxy]isoindole-1,3-dione Traditional Name: 2-[2-butyl-1-[4-(2-quinolylmethoxy)phenyl]hexoxy]isoindoline-1,3-quinone Formula: C34H36N2O4 MolecularWeight: 536.66064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)ON4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCC(CCCC)C(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)ON4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C34H36N2O4/c1-3-5-11-25(12-6-4-2)32(40-36-33(37)29-14-8-9-15-30(29)34(36)38)26-18-21-28(22-19-26)39-23-27-20-17-24-13-7-10-16-31(24)35-27/h7-10,13-22,25,32H,3-6,11-12,23H2,1-2H3