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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-propoxybenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C21H19N3O4/c1-2-13-27-16-9-7-15(8-10-16)21(26)28-14-19-23-18-6-4-3-5-17(18)20(25)24(19)12-11-22/h3-10H,2,12-14H2,1H3