4-[2-[(E)-2-(3-ethoxy-4-methoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(3-ethoxy-4-methoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(3-ethoxy-4-methoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(3-ethoxy-4-methoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C26H22N2O5/c1-3-33-23-16-17(8-14-22(23)32-2)9-15-24-27-21-7-5-4-6-20(21)25(29)28(24)19-12-10-18(11-13-19)26(30)31/h4-16H,3H2,1-2H3,(H,30,31)/b15-9+