[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NCCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C23H20N4O4/c24-13-15-27-20(26-19-9-5-4-8-18(19)23(27)30)16-31-22(29)12-14-25-21(28)11-10-17-6-2-1-3-7-17/h1-11H,12,14-16H2,(H,25,28)/b11-10+