bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-3-cyano-1,2-diazinane-1,2-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-3-cyano-1,2-diazinane-1,2-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3S)-3-cyanohexahydropyridazine-1,2-dicarboxylate CAS Name: (3S)-3-cyanodiazinane-1,2-dicarboxylic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3S)-3-cyanodiazinane-1,2-dicarboxylate Traditional Name: (3S)-3-cyanohexahydropyridazine-1,2-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C27H45N3O4 MolecularWeight: 475.6639

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCC(N2C(=O)OC3CC(CCC3C(C)C)C)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2CCC[C@H](N2C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C#N)C(C)C

InChI

InChI=1S/C27H45N3O4/c1-17(2)22-11-9-19(5)14-24(22)33-26(31)29-13-7-8-21(16-28)30(29)27(32)34-25-15-20(6)10-12-23(25)18(3)4/h17-25H,7-15H2,1-6H3/t19-,20-,21+,22+,23+,24-,25-/m1/s1