3-[4-oxidanylidene-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[4-oxidanylidene-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanoic acid Openeye Name: 3-[4-oxo-2-[(E)-2-(3-pyridyl)vinyl]quinazolin-3-yl]propanoic acid CAS Name: 3-[4-oxo-2-[(E)-2-(3-pyridinyl)ethenyl]-3-quinazolinyl]propanoic acid IUPAC Name: 3-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanoic acid Traditional Name: 3-[4-keto-2-[(E)-2-(3-pyridyl)vinyl]quinazolin-3-yl]propionic acid Formula: C18H15N3O3 MolecularWeight: 321.33

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CN=CC=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CN=CC=C3)CCC(=O)O

InChI

InChI=1S/C18H15N3O3/c22-17(23)9-11-21-16(8-7-13-4-3-10-19-12-13)20-15-6-2-1-5-14(15)18(21)24/h1-8,10,12H,9,11H2,(H,22,23)/b8-7+