2-methylpropoxycarbonyl (2S,4S,4aR,5S,6S)-5-(2-cyanoethyl)-4-(2,2-dimethylbutanoyloxy)-6-methyl-2,3,4,4a,5,6-hexahydronaphthalene-2-carboxylate

Systemtic Name: 2-methylpropoxycarbonyl (2S,4S,4aR,5S,6S)-5-(2-cyanoethyl)-4-(2,2-dimethylbutanoyloxy)-6-methyl-2,3,4,4a,5,6-hexahydronaphthalene-2-carboxylate Openeye Name: isobutoxycarbonyl (2S,4S,4aR,5S,6S)-5-(2-cyanoethyl)-4-(2,2-dimethylbutanoyloxy)-6-methyl-2,3,4,4a,5,6-hexahydronaphthalene-2-carboxylate CAS Name: (2S,4S,4aR,5S,6S)-5-(2-cyanoethyl)-4-(2,2-dimethyl-1-oxobutoxy)-6-methyl-2,3,4,4a,5,6-hexahydronaphthalene-2-carboxylic acid [2-methylpropoxy(oxo)methyl] ester IUPAC Name: 2-methylpropoxycarbonyl (2S,4S,4aR,5S,6S)-5-(2-cyanoethyl)-4-(2,2-dimethylbutanoyloxy)-6-methyl-2,3,4,4a,5,6-hexahydronaphthalene-2-carboxylate Traditional Name: (2S,4S,4aR,5S,6S)-5-(2-cyanoethyl)-4-(2,2-dimethylbutanoyloxy)-6-methyl-2,3,4,4a,5,6-hexahydronaphthalene-2-carboxylic acid isobutoxycarbonyl ester Formula: C26H37NO6 MolecularWeight: 459.57508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC#N)C(=O)OC(=O)OCC(C)C

Isomeric SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CCC#N)C(=O)OC(=O)OCC(C)C

InChI

InChI=1S/C26H37NO6/c1-7-26(5,6)24(29)32-21-14-19(23(28)33-25(30)31-15-16(2)3)13-18-11-10-17(4)20(22(18)21)9-8-12-27/h10-11,13,16-17,19-22H,7-9,14-15H2,1-6H3/t17-,19+,20-,21-,22-/m0/s1