ethyl (2R,3S)-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]-3-phenyl-aziridine-2-carboxylate

Systemtic Name: ethyl (2R,3S)-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]-3-phenyl-aziridine-2-carboxylate Openeye Name: ethyl (2R,3S)-1-(2-isobutyl-4-oxo-quinazolin-3-yl)-3-phenyl-aziridine-2-carboxylate CAS Name: (2R,3S)-1-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-3-phenyl-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-1-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-3-phenylaziridine-2-carboxylate Traditional Name: (2R,3S)-1-(2-isobutyl-4-keto-quinazolin-3-yl)-3-phenyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-4-29-23(28)21-20(16-10-6-5-7-11-16)26(21)25-19(14-15(2)3)24-18-13-9-8-12-17(18)22(25)27/h5-13,15,20-21H,4,14H2,1-3H3/t20-,21+,26?/m0/s1