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

Systemtic Name: 3-[2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-3-5-16-32-21-12-10-18(17-22(21)31-4-2)11-13-23-26-20-9-7-6-8-19(20)25(30)27(23)15-14-24(28)29/h6-13,17H,3-5,14-16H2,1-2H3,(H,28,29)/b13-11+