[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [(1S)-2-(3-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 [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H20N4O4/c1-14(21(28)24-16-7-4-6-15(12-16)13-23)30-20(27)11-5-10-19-25-18-9-3-2-8-17(18)22(29)26-19/h2-4,6-9,12,14H,5,10-11H2,1H3,(H,24,28)(H,25,26,29)/t14-/m0/s1