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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-ethoxy-4-propoxy-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-3-13-30-19-10-9-16(14-20(19)29-4-2)23(28)31-15-21-25-18-8-6-5-7-17(18)22(27)26(21)12-11-24/h5-10,14H,3-4,12-13,15H2,1-2H3