O2-tert-butyl O1-ethyl (1R,4aR,8aR)-6-(diethoxyphosphoryloxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-ethyl (1R,4aR,8aR)-6-(diethoxyphosphoryloxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-ethyl (1R,4aR,8aR)-6-(diethoxyphosphoryloxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R,4aR,8aR)-6-(diethoxyphosphoryloxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-ethyl ester IUPAC Name: 2-O-tert-butyl 1-O-ethyl (1R,4aR,8aR)-6-(diethoxyphosphoryloxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R,4aR,8aR)-6-(diethoxyphosphoryloxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-ethyl ester Formula: C22H40NO8P MolecularWeight: 477.528661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(CC2CCN1C(=O)OC(C)(C)C)COP(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]2CCC(C[C@@H]2CCN1C(=O)OC(C)(C)C)COP(=O)(OCC)OCC

InChI

InChI=1S/C22H40NO8P/c1-7-27-20(24)19-18-11-10-16(15-30-32(26,28-8-2)29-9-3)14-17(18)12-13-23(19)21(25)31-22(4,5)6/h16-19H,7-15H2,1-6H3/t16?,17-,18+,19+/m0/s1