bis[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-oxidanylidene-2,3-dihydropyridine-1,5-dicarboxylate

Systemtic Name: bis[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-oxidanylidene-2,3-dihydropyridine-1,5-dicarboxylate Openeye Name: bis[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 4-oxo-2,3-dihydropyridine-1,5-dicarboxylate CAS Name: 4-oxo-2,3-dihydropyridine-1,5-dicarboxylic acid bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-oxo-2,3-dihydropyridine-1,5-dicarboxylate Traditional Name: 4-keto-2,3-dihydropyridine-1,5-dicarboxylic acid bis[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C27H43NO5 MolecularWeight: 461.63402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CN(CCC2=O)C(=O)OC3CC(CCC3C(C)C)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CN(CCC2=O)C(=O)O[C@H]3C[C@H](CC[C@@H]3C(C)C)C)C(C)C

InChI

InChI=1S/C27H43NO5/c1-16(2)20-9-7-18(5)13-24(20)32-26(30)22-15-28(12-11-23(22)29)27(31)33-25-14-19(6)8-10-21(25)17(3)4/h15-21,24-25H,7-14H2,1-6H3/t18-,19-,20+,21+,24-,25-/m0/s1