4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-(3-methoxy-4-phenylmethoxy-phenyl)amino]benzenecarbonitrile

Systemtic Name: 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-(3-methoxy-4-phenylmethoxy-phenyl)amino]benzenecarbonitrile Openeye Name: 4-[4-benzyloxy-N-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-3-methoxy-anilino]benzonitrile CAS Name: 4-[N-[2-(1,3-dioxo-2-isoindolyl)ethyl]-3-methoxy-4-phenylmethoxyanilino]benzonitrile IUPAC Name: 4-[N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methoxy-4-phenylmethoxyanilino]benzonitrile Traditional Name: 4-[4-benzoxy-3-methoxy-N-(2-phthalimidoethyl)anilino]benzonitrile Formula: C31H25N3O4 MolecularWeight: 503.5479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C#N)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)N(CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C31H25N3O4/c1-37-29-19-25(15-16-28(29)38-21-23-7-3-2-4-8-23)33(24-13-11-22(20-32)12-14-24)17-18-34-30(35)26-9-5-6-10-27(26)31(34)36/h2-16,19H,17-18,21H2,1H3