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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OCC)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

InChI

InChI=1S/C24H26N2O5/c1-3-16-31-23-17(8-7-11-20(23)30-4-2)12-13-21-25-19-10-6-5-9-18(19)24(29)26(21)15-14-22(27)28/h5-13H,3-4,14-16H2,1-2H3,(H,27,28)/b13-12+