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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-ethoxyphenoxy)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(4-ethoxyphenoxy)acetate CAS Name: 2-(4-ethoxyphenoxy)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(4-ethoxyphenoxy)acetate Traditional Name: 2-(4-ethoxyphenoxy)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C21H19N3O5/c1-2-27-15-7-9-16(10-8-15)28-14-20(25)29-13-19-23-18-6-4-3-5-17(18)21(26)24(19)12-11-22/h3-10H,2,12-14H2,1H3