3-[2-[(E)-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(E)-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-27-17-8-6-13(12-16(17)23)7-9-18-21-15-5-3-2-4-14(15)20(26)22(18)11-10-19(24)25/h2-9,12,23H,10-11H2,1H3,(H,24,25)/b9-7+