O3-ethyl O2-methyl 6-[[(2S,4S)-4-chloranyl-2-ethoxycarbonyl-pyrrolidin-1-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-ethyl O2-methyl 6-[[(2S,4S)-4-chloranyl-2-ethoxycarbonyl-pyrrolidin-1-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O3-ethyl O2-methyl 6-[[(2S,4S)-4-chloro-2-ethoxycarbonyl-pyrrolidin-1-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: 6-[[(2S,4S)-4-chloro-2-ethoxycarbonyl-1-pyrrolidinyl]methyl]-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 6-[[(2S,4S)-4-chloro-2-ethoxycarbonylpyrrolidin-1-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: 6-[[(2S,4S)-2-carbethoxy-4-chloro-pyrrolidino]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester Formula: C22H35ClN2O6 MolecularWeight: 458.9761

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2CC(CCC2CN1C(=O)OC)CN3CC(CC3C(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@@H](CN1CC2CCC3CN(C(CC3C2)C(=O)OCC)C(=O)OC)Cl

InChI

InChI=1S/C22H35ClN2O6/c1-4-30-20(26)18-10-17(23)13-24(18)11-14-6-7-15-12-25(22(28)29-3)19(9-16(15)8-14)21(27)31-5-2/h14-19H,4-13H2,1-3H3/t14?,15?,16?,17-,18-,19?/m0/s1