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

Systemtic Name: 3-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(4-methoxycarbonylphenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(4-carbomethoxyphenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5/c1-28-21(27)15-9-6-14(7-10-15)8-11-18-22-17-5-3-2-4-16(17)20(26)23(18)13-12-19(24)25/h2-11H,12-13H2,1H3,(H,24,25)/b11-8+