[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-ethoxy-4-methoxy-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic 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=C(C=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-3-28-18-12-14(8-9-17(18)27-2)21(26)29-13-19-23-16-7-5-4-6-15(16)20(25)24(19)11-10-22/h4-9,12H,3,11,13H2,1-2H3