[4-[(E)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)vinyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-2-(4-keto-1H-quinazolin-2-yl)vinyl]-2-methoxy-phenyl] ester Formula: C26H19N3O5 MolecularWeight: 453.44616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C26H19N3O5/c1-32-19-10-8-17(9-11-19)26(31)34-22-12-7-16(14-23(22)33-2)13-18(15-27)24-28-21-6-4-3-5-20(21)25(30)29-24/h3-14H,1-2H3,(H,28,29,30)/b18-13+