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

Systemtic Name: [(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [(1S)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid [(1S)-2-(3-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=C1)Cl)OC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C21H20ClN3O4/c1-13(20(27)23-15-7-5-6-14(22)12-15)29-19(26)11-10-18-24-17-9-4-3-8-16(17)21(28)25(18)2/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)/t13-/m0/s1