[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,3R)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-3-methyl-aziridine-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,3R)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-3-methyl-aziridine-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S,3R)-1-(2-ethyl-4-oxo-quinazolin-3-yl)-3-methyl-aziridine-2-carboxylate CAS Name: (2S,3R)-1-(2-ethyl-4-oxo-3-quinazolinyl)-3-methyl-2-aziridinecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,3R)-1-(2-ethyl-4-oxoquinazolin-3-yl)-3-methylaziridine-2-carboxylate Traditional Name: (2S,3R)-1-(2-ethyl-4-keto-quinazolin-3-yl)-3-methyl-ethylenimine-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N3C(C3C(=O)OC4CC(CCC4C(C)C)C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N3[C@@H]([C@H]3C(=O)O[C@@H]4C[C@@H](CC[C@H]4C(C)C)C)C

InChI

InChI=1S/C24H33N3O3/c1-6-21-25-19-10-8-7-9-18(19)23(28)27(21)26-16(5)22(26)24(29)30-20-13-15(4)11-12-17(20)14(2)3/h7-10,14-17,20,22H,6,11-13H2,1-5H3/t15-,16-,17+,20-,22+,26?/m1/s1