O1-tert-butyl O2-methyl (2S,3aR,5E,7aR)-5-(diethoxyphosphorylmethylidene)-3,3a,4,6,7,7a-hexahydro-2H-indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,3aR,5E,7aR)-5-(diethoxyphosphorylmethylidene)-3,3a,4,6,7,7a-hexahydro-2H-indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,3aR,5E,7aR)-5-(diethoxyphosphorylmethylene)-3,3a,4,6,7,7a-hexahydro-2H-indole-1,2-dicarboxylate CAS Name: (2S,3aR,5E,7aR)-5-(diethoxyphosphorylmethylidene)-3,3a,4,6,7,7a-hexahydro-2H-indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,3aR,5E,7aR)-5-(diethoxyphosphorylmethylidene)-3,3a,4,6,7,7a-hexahydro-2H-indole-1,2-dicarboxylate Traditional Name: (2S,3aR,5E,7aR)-5-(diethoxyphosphorylmethylene)-3,3a,4,6,7,7a-hexahydro-2H-indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C20H34NO7P MolecularWeight: 431.460221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=C1CCC2C(C1)CC(N2C(=O)OC(C)(C)C)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(/C=C/1\CC[C@@H]2[C@H](C1)C[C@H](N2C(=O)OC(C)(C)C)C(=O)OC)OCC

InChI

InChI=1S/C20H34NO7P/c1-7-26-29(24,27-8-2)13-14-9-10-16-15(11-14)12-17(18(22)25-6)21(16)19(23)28-20(3,4)5/h13,15-17H,7-12H2,1-6H3/b14-13+/t15-,16-,17+/m1/s1