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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-cyclohexylpropanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1CCC(CC1)CCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C20H23N3O3/c21-12-13-23-18(22-17-9-5-4-8-16(17)20(23)25)14-26-19(24)11-10-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-11,13-14H2