3-[2-[(E)-2-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(E)-2-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(3-chloro-5-ethoxy-4-propoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(3-chloro-5-ethoxy-4-propoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(3-chloro-5-ethoxy-4-propoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(3-chloro-5-ethoxy-4-propoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C24H25ClN2O5 MolecularWeight: 456.9187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OCC

InChI

InChI=1S/C24H25ClN2O5/c1-3-13-32-23-18(25)14-16(15-20(23)31-4-2)9-10-21-26-19-8-6-5-7-17(19)24(30)27(21)12-11-22(28)29/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,28,29)/b10-9+