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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

InChI

InChI=1S/C21H20N2O5/c1-27-17-9-5-6-14(20(17)28-2)10-11-18-22-16-8-4-3-7-15(16)21(26)23(18)13-12-19(24)25/h3-11H,12-13H2,1-2H3,(H,24,25)/b11-10+