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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3,4-diethoxybenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-3-28-18-10-9-15(13-19(18)29-4-2)22(27)30-14-20-24-17-8-6-5-7-16(17)21(26)25(20)12-11-23/h5-10,13H,3-4,12,14H2,1-2H3