2-[2-adamantyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]isoindole-1,3-dione

Systemtic Name: 2-[2-adamantyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]isoindole-1,3-dione Openeye Name: 2-[2-adamantyl-[4-(2-quinolylmethoxy)phenyl]methoxy]isoindoline-1,3-dione CAS Name: 2-[2-adamantyl-[4-(2-quinolinylmethoxy)phenyl]methoxy]isoindole-1,3-dione IUPAC Name: 2-[2-adamantyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]isoindole-1,3-dione Traditional Name: 2-[2-adamantyl-[4-(2-quinolylmethoxy)phenyl]methoxy]isoindoline-1,3-quinone Formula: C35H32N2O4 MolecularWeight: 544.63958

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)ON7C(=O)C8=CC=CC=C8C7=O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)ON7C(=O)C8=CC=CC=C8C7=O

InChI

InChI=1S/C35H32N2O4/c38-34-29-6-2-3-7-30(29)35(39)37(34)41-33(32-25-16-21-15-22(18-25)19-26(32)17-21)24-10-13-28(14-11-24)40-20-27-12-9-23-5-1-4-8-31(23)36-27/h1-14,21-22,25-26,32-33H,15-20H2