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

Systemtic Name: [(2R)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [(1R)-2-(2-chloroanilino)-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-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloroanilino)-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-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H20ClN3O4/c1-13(20(27)24-17-10-5-3-8-15(17)22)29-19(26)12-6-11-18-23-16-9-4-2-7-14(16)21(28)25-18/h2-5,7-10,13H,6,11-12H2,1H3,(H,24,27)(H,23,25,28)/t13-/m1/s1