[(1S)-1-phenylethyl] (2R)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-2-methyl-aziridine-2-carboxylate

Systemtic Name: [(1S)-1-phenylethyl] (2R)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-2-methyl-aziridine-2-carboxylate Openeye Name: [(1S)-1-phenylethyl] (2R)-1-(2-ethyl-4-oxo-quinazolin-3-yl)-2-methyl-aziridine-2-carboxylate CAS Name: (2R)-1-(2-ethyl-4-oxo-3-quinazolinyl)-2-methyl-2-aziridinecarboxylic acid [(1S)-1-phenylethyl] ester IUPAC Name: [(1S)-1-phenylethyl] (2R)-1-(2-ethyl-4-oxoquinazolin-3-yl)-2-methylaziridine-2-carboxylate Traditional Name: (2R)-1-(2-ethyl-4-keto-quinazolin-3-yl)-2-methyl-ethylenimine-2-carboxylic acid [(1S)-1-phenylethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N3CC3(C)C(=O)OC(C)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N3C[C@]3(C)C(=O)O[C@@H](C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c1-4-19-23-18-13-9-8-12-17(18)20(26)25(19)24-14-22(24,3)21(27)28-15(2)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3/t15-,22+,24?/m0/s1