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

Systemtic Name: 4-[2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(2,3-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(=C1OC)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H20N2O5/c1-31-21-9-5-6-16(23(21)32-2)12-15-22-26-20-8-4-3-7-19(20)24(28)27(22)18-13-10-17(11-14-18)25(29)30/h3-15H,1-2H3,(H,29,30)/b15-12+