[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,3R)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-3-phenyl-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-phenyl-aziridine-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S,3R)-1-(2-ethyl-4-oxo-quinazolin-3-yl)-3-phenyl-aziridine-2-carboxylate CAS Name: (2S,3R)-1-(2-ethyl-4-oxo-3-quinazolinyl)-3-phenyl-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-phenylaziridine-2-carboxylate Traditional Name: (2S,3R)-1-(2-ethyl-4-keto-quinazolin-3-yl)-3-phenyl-ethylenimine-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N3C(C3C(=O)OC4CC(CCC4C(C)C)C)C5=CC=CC=C5

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)C5=CC=CC=C5

InChI

InChI=1S/C29H35N3O3/c1-5-25-30-23-14-10-9-13-22(23)28(33)31(25)32-26(20-11-7-6-8-12-20)27(32)29(34)35-24-17-19(4)15-16-21(24)18(2)3/h6-14,18-19,21,24,26-27H,5,15-17H2,1-4H3/t19-,21+,24-,26-,27+,32?/m1/s1