O3-ethyl O2-methyl (3R)-6-(2-ethoxycarbonyl-5-oxidanylidene-piperidin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-ethyl O2-methyl (3R)-6-(2-ethoxycarbonyl-5-oxidanylidene-piperidin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O3-ethyl O2-methyl (3R)-6-(2-ethoxycarbonyl-5-oxo-1-piperidyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: (3R)-6-(2-ethoxycarbonyl-5-oxo-1-piperidinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester IUPAC Name: 3-O-ethyl 2-O-methyl (3R)-6-(2-ethoxycarbonyl-5-oxopiperidin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: (3R)-6-(2-carbethoxy-5-keto-piperidino)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester Formula: C22H34N2O7 MolecularWeight: 438.51456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=O)CN1C2CCC3CN(C(CC3C2)C(=O)OCC)C(=O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CC2CC(CCC2CN1C(=O)OC)N3CC(=O)CCC3C(=O)OCC

InChI

InChI=1S/C22H34N2O7/c1-4-30-20(26)18-9-8-17(25)13-23(18)16-7-6-14-12-24(22(28)29-3)19(11-15(14)10-16)21(27)31-5-2/h14-16,18-19H,4-13H2,1-3H3/t14?,15?,16?,18?,19-/m1/s1