ditert-butyl (2R,3S,4R)-4-methyl-4-oxidanyl-6-phenethylimino-2-phenyl-cyclohexane-1,3-dicarboxylate

Systemtic Name: ditert-butyl (2R,3S,4R)-4-methyl-4-oxidanyl-6-phenethylimino-2-phenyl-cyclohexane-1,3-dicarboxylate Openeye Name: ditert-butyl (2R,3S,4R)-4-hydroxy-4-methyl-6-phenethylimino-2-phenyl-cyclohexane-1,3-dicarboxylate CAS Name: (2R,3S,4R)-4-hydroxy-4-methyl-6-phenethylimino-2-phenylcyclohexane-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (2R,3S,4R)-4-hydroxy-4-methyl-6-phenethylimino-2-phenylcyclohexane-1,3-dicarboxylate Traditional Name: (2R,3S,4R)-4-hydroxy-4-methyl-6-phenethylimino-2-phenyl-cyclohexane-1,3-dicarboxylic acid ditert-butyl ester Formula: C31H41NO5 MolecularWeight: 507.66094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NCCC2=CC=CC=C2)C(C(C1C(=O)OC(C)(C)C)C3=CC=CC=C3)C(=O)OC(C)(C)C)O

Isomeric SMILES

C[C@]1(CC(=NCCC2=CC=CC=C2)C([C@H]([C@@H]1C(=O)OC(C)(C)C)C3=CC=CC=C3)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C31H41NO5/c1-29(2,3)36-27(33)25-23(32-19-18-21-14-10-8-11-15-21)20-31(7,35)26(28(34)37-30(4,5)6)24(25)22-16-12-9-13-17-22/h8-17,24-26,35H,18-20H2,1-7H3/t24-,25?,26-,31-/m1/s1