3-[4-oxidanylidene-2-[(E)-2-(2-phenylpyrimidin-5-yl)ethenyl]quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[4-oxidanylidene-2-[(E)-2-(2-phenylpyrimidin-5-yl)ethenyl]quinazolin-3-yl]propanoic acid Openeye Name: 3-[4-oxo-2-[(E)-2-(2-phenylpyrimidin-5-yl)vinyl]quinazolin-3-yl]propanoic acid CAS Name: 3-[4-oxo-2-[(E)-2-(2-phenyl-5-pyrimidinyl)ethenyl]-3-quinazolinyl]propanoic acid IUPAC Name: 3-[4-oxo-2-[(E)-2-(2-phenylpyrimidin-5-yl)ethenyl]quinazolin-3-yl]propanoic acid Traditional Name: 3-[4-keto-2-[(E)-2-(2-phenylpyrimidin-5-yl)vinyl]quinazolin-3-yl]propionic acid Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C=N2)C=CC3=NC4=CC=CC=C4C(=O)N3CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C=N2)/C=C/C3=NC4=CC=CC=C4C(=O)N3CCC(=O)O

InChI

InChI=1S/C23H18N4O3/c28-21(29)12-13-27-20(26-19-9-5-4-8-18(19)23(27)30)11-10-16-14-24-22(25-15-16)17-6-2-1-3-7-17/h1-11,14-15H,12-13H2,(H,28,29)/b11-10+