[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H16N4O4/c1-14(29-16-8-6-15(12-23)7-9-16)21(27)28-13-19-24-18-5-3-2-4-17(18)20(26)25(19)11-10-22/h2-9,14H,11,13H2,1H3/t14-/m1/s1