3-[4-oxidanylidene-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[4-oxidanylidene-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanoic acid Openeye Name: 3-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)vinyl]quinazolin-3-yl]propanoic acid CAS Name: 3-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]-3-quinazolinyl]propanoic acid IUPAC Name: 3-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanoic acid Traditional Name: 3-[4-keto-2-[(E)-2-(3-phenoxyphenyl)vinyl]quinazolin-3-yl]propionic acid Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=CC3=NC4=CC=CC=C4C(=O)N3CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3CCC(=O)O

InChI

InChI=1S/C25H20N2O4/c28-24(29)15-16-27-23(26-22-12-5-4-11-21(22)25(27)30)14-13-18-7-6-10-20(17-18)31-19-8-2-1-3-9-19/h1-14,17H,15-16H2,(H,28,29)/b14-13+