3-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(3,5-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(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-27-15-11-14(12-16(13-15)28-2)7-8-19-22-18-6-4-3-5-17(18)21(26)23(19)10-9-20(24)25/h3-8,11-13H,9-10H2,1-2H3,(H,24,25)/b8-7+