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

Systemtic Name: 4-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(4-methoxycarbonylphenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(4-carbomethoxyphenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C25H18N2O5 MolecularWeight: 426.42082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N2O5/c1-32-25(31)18-9-6-16(7-10-18)8-15-22-26-21-5-3-2-4-20(21)23(28)27(22)19-13-11-17(12-14-19)24(29)30/h2-15H,1H3,(H,29,30)/b15-8+