[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC

InChI

InChI=1S/C22H21N3O5/c1-28-16-11-15(12-17(13-16)29-2)7-8-21(26)30-14-20-24-19-6-4-3-5-18(19)22(27)25(20)10-9-23/h3-6,11-13H,7-8,10,14H2,1-2H3