bis[(1S,2R,3R,5S)-2,3-dimethyl-5-propan-2-yl-cyclohexyl] 2,6-dimethylpyridine-3,5-dicarboxylate

Systemtic Name: bis[(1S,2R,3R,5S)-2,3-dimethyl-5-propan-2-yl-cyclohexyl] 2,6-dimethylpyridine-3,5-dicarboxylate Openeye Name: bis[(1S,2R,3R,5S)-5-isopropyl-2,3-dimethyl-cyclohexyl] 2,6-dimethylpyridine-3,5-dicarboxylate CAS Name: 2,6-dimethylpyridine-3,5-dicarboxylic acid bis[(1S,2R,3R,5S)-2,3-dimethyl-5-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1S,2R,3R,5S)-2,3-dimethyl-5-propan-2-ylcyclohexyl] 2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethylpyridine-3,5-dicarboxylic acid bis[(1S,2R,3R,5S)-5-isopropyl-2,3-dimethyl-cyclohexyl] ester Formula: C31H49NO4 MolecularWeight: 499.72506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1C)OC(=O)C2=CC(=C(N=C2C)C)C(=O)OC3CC(CC(C3C)C)C(C)C)C(C)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[C@@H]([C@@H]1C)OC(=O)C2=CC(=C(N=C2C)C)C(=O)O[C@H]3C[C@H](C[C@H]([C@H]3C)C)C(C)C)C(C)C

InChI

InChI=1S/C31H49NO4/c1-16(2)24-11-18(5)20(7)28(13-24)35-30(33)26-15-27(23(10)32-22(26)9)31(34)36-29-14-25(17(3)4)12-19(6)21(29)8/h15-21,24-25,28-29H,11-14H2,1-10H3/t18-,19-,20-,21-,24+,25+,28+,29+/m1/s1