[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2,4,6-trimethylbenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2,4,6-trimethylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

InChI

InChI=1S/C21H19N3O3/c1-13-10-14(2)19(15(3)11-13)21(26)27-12-18-23-17-7-5-4-6-16(17)20(25)24(18)9-8-22/h4-7,10-11H,9,12H2,1-3H3