2-[(Z)-1-cyano-2-(3-methoxy-4-phenethyloxy-phenyl)ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(Z)-1-cyano-2-(3-methoxy-4-phenethyloxy-phenyl)ethenyl]quinazolin-4-olate Openeye Name: 2-[(Z)-1-cyano-2-(3-methoxy-4-phenethyloxy-phenyl)vinyl]quinazolin-4-olate CAS Name: 2-[(Z)-1-cyano-2-(3-methoxy-4-phenethyloxyphenyl)ethenyl]-4-quinazolinolate IUPAC Name: 2-[(Z)-1-cyano-2-(3-methoxy-4-phenethyloxyphenyl)ethenyl]quinazolin-4-olate Traditional Name: 2-[(Z)-1-cyano-2-(3-methoxy-4-phenethyloxy-phenyl)vinyl]quinazolin-4-olate Formula: C26H20N3O3- MolecularWeight: 422.4553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3C(=N2)[O-])OCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3C(=N2)[O-])OCCC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O3/c1-31-24-16-19(11-12-23(24)32-14-13-18-7-3-2-4-8-18)15-20(17-27)25-28-22-10-6-5-9-21(22)26(30)29-25/h2-12,15-16H,13-14H2,1H3,(H,28,29,30)/p-1/b20-15-