3-[2-[(E)-2-(2,4-dipropoxyphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OCCC

InChI

InChI=1S/C25H28N2O5/c1-3-15-31-19-11-9-18(22(17-19)32-16-4-2)10-12-23-26-21-8-6-5-7-20(21)25(30)27(23)14-13-24(28)29/h5-12,17H,3-4,13-16H2,1-2H3,(H,28,29)/b12-10+