bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-dimethoxyphosphoryl-3,6-dihydropyridazine-1,2-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-dimethoxyphosphoryl-3,6-dihydropyridazine-1,2-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3-dimethoxyphosphoryl-3,6-dihydropyridazine-1,2-dicarboxylate CAS Name: 3-dimethoxyphosphoryl-3,6-dihydropyridazine-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] 3-dimethoxyphosphoryl-3,6-dihydropyridazine-1,2-dicarboxylate Traditional Name: 3-dimethoxyphosphoryl-3,6-dihydropyridazine-1,2-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H49N2O7P MolecularWeight: 556.671621

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CC=CC(N2C(=O)OC3CC(CCC3C(C)C)C)P(=O)(OC)OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2CC=CC(N2C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)P(=O)(OC)OC)C(C)C

InChI

InChI=1S/C28H49N2O7P/c1-18(2)22-13-11-20(5)16-24(22)36-27(31)29-15-9-10-26(38(33,34-7)35-8)30(29)28(32)37-25-17-21(6)12-14-23(25)19(3)4/h9-10,18-26H,11-17H2,1-8H3/t20-,21-,22+,23+,24-,25-,26?/m1/s1