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

Systemtic Name: 3-[2-[(E)-2-(4-butoxy-3-methoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(4-butoxy-3-methoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(4-butoxy-3-methoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(4-butoxy-3-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(4-butoxy-3-methoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C24H26N2O5 MolecularWeight: 422.47364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OC

InChI

InChI=1S/C24H26N2O5/c1-3-4-15-31-20-11-9-17(16-21(20)30-2)10-12-22-25-19-8-6-5-7-18(19)24(29)26(22)14-13-23(27)28/h5-12,16H,3-4,13-15H2,1-2H3,(H,27,28)/b12-10+