3-[2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(3-ethoxy-4-propargyloxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OCC#C

InChI

InChI=1S/C24H22N2O5/c1-3-15-31-20-11-9-17(16-21(20)30-4-2)10-12-22-25-19-8-6-5-7-18(19)24(29)26(22)14-13-23(27)28/h1,5-12,16H,4,13-15H2,2H3,(H,27,28)/b12-10+