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

Systemtic Name: 3-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OC

InChI

InChI=1S/C21H20N2O5/c1-27-17-9-7-14(13-18(17)28-2)8-10-19-22-16-6-4-3-5-15(16)21(26)23(19)12-11-20(24)25/h3-10,13H,11-12H2,1-2H3,(H,24,25)/b10-8+