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

Systemtic Name: [(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [(1R)-2-(4-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-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-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-(4-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=C(C=C1)Cl)OC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

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

InChI

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