[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(4-chloro-2,6-dimethyl-phenoxy)acetate CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(4-chloro-2,6-dimethylphenoxy)acetate Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C)Cl

InChI

InChI=1S/C21H18ClN3O4/c1-13-9-15(22)10-14(2)20(13)29-12-19(26)28-11-18-24-17-6-4-3-5-16(17)21(27)25(18)8-7-23/h3-6,9-10H,8,11-12H2,1-2H3