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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-phenoxypropanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4/c21-11-12-23-18(22-17-9-5-4-8-16(17)20(23)25)14-27-19(24)10-13-26-15-6-2-1-3-7-15/h1-9H,10,12-14H2