4-[2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-bis(oxidanylidene)isoindol-5-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-bis(oxidanylidene)isoindol-5-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-dioxo-isoindolin-5-yl]oxybenzonitrile CAS Name: 4-[[2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1,3-dioxo-5-isoindolyl]oxy]benzonitrile IUPAC Name: 4-[2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxybenzonitrile Traditional Name: 4-[1,3-diketo-2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]isoindolin-5-yl]oxybenzonitrile Formula: C28H25N3O5 MolecularWeight: 483.5152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)C#N)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)C#N)OCCN5CCCC5

InChI

InChI=1S/C28H25N3O5/c1-34-26-16-20(6-11-25(26)35-15-14-30-12-2-3-13-30)31-27(32)23-10-9-22(17-24(23)28(31)33)36-21-7-4-19(18-29)5-8-21/h4-11,16-17H,2-3,12-15H2,1H3