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

Systemtic Name: methyl (2R,3S)-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]-3-phenyl-aziridine-2-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=O)N1N3C(C3C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=O)N1N3[C@H]([C@@H]3C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c1-14(2)13-18-23-17-12-8-7-11-16(17)21(26)24(18)25-19(20(25)22(27)28-3)15-9-5-4-6-10-15/h4-12,14,19-20H,13H2,1-3H3/t19-,20+,25?/m0/s1