ethyl (3aS,4R,5S,6S,6aR)-4,5,6-tris(phenylmethoxy)-1-(phenylmethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole-2-carboxylate

Systemtic Name: ethyl (3aS,4R,5S,6S,6aR)-4,5,6-tris(phenylmethoxy)-1-(phenylmethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole-2-carboxylate Openeye Name: ethyl (3aS,4R,5S,6S,6aR)-1-benzyl-4,5,6-tribenzyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole-2-carboxylate CAS Name: (3aS,4R,5S,6S,6aR)-4,5,6-tris(phenylmethoxy)-1-(phenylmethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,4R,5S,6S,6aR)-1-benzyl-4,5,6-tris(phenylmethoxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole-2-carboxylate Traditional Name: (3aS,4R,5S,6S,6aR)-4,5,6-tribenzoxy-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole-2-carboxylic acid ethyl ester Formula: C37H40N2O5 MolecularWeight: 592.7239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2C(N1CC3=CC=CC=C3)C(C(C2OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CCOC(=O)N1C[C@H]2[C@@H](N1CC3=CC=CC=C3)[C@@H]([C@H]([C@@H]2OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C37H40N2O5/c1-2-41-37(40)39-24-32-33(38(39)23-28-15-7-3-8-16-28)35(43-26-30-19-11-5-12-20-30)36(44-27-31-21-13-6-14-22-31)34(32)42-25-29-17-9-4-10-18-29/h3-22,32-36H,2,23-27H2,1H3/t32-,33+,34+,35-,36-/m0/s1