[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(2-propan-2-ylphenoxy)ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(2-propan-2-ylphenoxy)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(2-isopropylphenoxy)acetate CAS Name: 2-(2-propan-2-ylphenoxy)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropylphenoxy)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C22H21N3O4/c1-15(2)16-7-4-6-10-19(16)28-14-21(26)29-13-20-24-18-9-5-3-8-17(18)22(27)25(20)12-11-23/h3-10,15H,12-14H2,1-2H3