2-[1-(3,4-diethoxyphenyl)-3-(pyridin-3-ylmethoxy)propyl]isoindole-1,3-dione

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-3-(pyridin-3-ylmethoxy)propyl]isoindole-1,3-dione Openeye Name: 2-[1-(3,4-diethoxyphenyl)-3-(3-pyridylmethoxy)propyl]isoindoline-1,3-dione CAS Name: 2-[1-(3,4-diethoxyphenyl)-3-(3-pyridinylmethoxy)propyl]isoindole-1,3-dione IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-3-(pyridin-3-ylmethoxy)propyl]isoindole-1,3-dione Traditional Name: 2-[1-(3,4-diethoxyphenyl)-3-(3-pyridylmethoxy)propyl]isoindoline-1,3-quinone Formula: C27H28N2O5 MolecularWeight: 460.52162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CCOCC2=CN=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CCOCC2=CN=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OCC

InChI

InChI=1S/C27H28N2O5/c1-3-33-24-12-11-20(16-25(24)34-4-2)23(13-15-32-18-19-8-7-14-28-17-19)29-26(30)21-9-5-6-10-22(21)27(29)31/h5-12,14,16-17,23H,3-4,13,15,18H2,1-2H3