4-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C25H20N2O5/c1-31-19-13-16(14-20(15-19)32-2)7-12-23-26-22-6-4-3-5-21(22)24(28)27(23)18-10-8-17(9-11-18)25(29)30/h3-15H,1-2H3,(H,29,30)/b12-7+