[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H20N4O4/c1-14(21(28)25-17-9-4-2-7-15(17)13-23)30-20(27)12-6-11-19-24-18-10-5-3-8-16(18)22(29)26-19/h2-5,7-10,14H,6,11-12H2,1H3,(H,25,28)(H,24,26,29)/t14-/m1/s1