[(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [(1R)-2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [(1R)-2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H18ClN3O4/c1-12(19(26)22-14-8-6-13(21)7-9-14)28-18(25)11-10-17-23-16-5-3-2-4-15(16)20(27)24-17/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,24,27)/t12-/m1/s1