[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S,5S)-5-diethoxyphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S,5S)-5-diethoxyphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3S,5S)-5-diethoxyphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylate CAS Name: (3S,5S)-5-diethoxyphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3S,5S)-5-diethoxyphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylate Traditional Name: (3S,5S)-5-diethoxyphosphoryl-6-methyl-3-phenyl-4,5-dihydro-3H-pyridazine-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C26H41N2O5P MolecularWeight: 492.587901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1CC(N(N=C1C)C(=O)OC2CC(CCC2C(C)C)C)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOP(=O)([C@H]1C[C@H](N(N=C1C)C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)C3=CC=CC=C3)OCC

InChI

InChI=1S/C26H41N2O5P/c1-7-31-34(30,32-8-2)25-17-23(21-12-10-9-11-13-21)28(27-20(25)6)26(29)33-24-16-19(5)14-15-22(24)18(3)4/h9-13,18-19,22-25H,7-8,14-17H2,1-6H3/t19-,22+,23+,24-,25+/m1/s1