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

Systemtic Name: [(2R)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [(1R)-2-[N-(2-cyanoethyl)anilino]-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-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[N-(2-cyanoethyl)anilino]-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-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C23H22N4O4/c1-16(23(30)27(15-7-14-24)17-8-3-2-4-9-17)31-21(28)13-12-20-25-19-11-6-5-10-18(19)22(29)26-20/h2-6,8-11,16H,7,12-13,15H2,1H3,(H,25,26,29)/t16-/m1/s1