O4,O4'-ditert-butyl O2-methyl (2S,3S,5S)-5-cyclohexyl-3-phenyl-pyrrolidine-2,4,4-tricarboxylate

Systemtic Name: O4,O4'-ditert-butyl O2-methyl (2S,3S,5S)-5-cyclohexyl-3-phenyl-pyrrolidine-2,4,4-tricarboxylate Openeye Name: O4,O4'-ditert-butyl O2-methyl (2S,3S,5S)-5-cyclohexyl-3-phenyl-pyrrolidine-2,4,4-tricarboxylate CAS Name: (2S,3S,5S)-5-cyclohexyl-3-phenylpyrrolidine-2,4,4-tricarboxylic acid O4,O4'-ditert-butyl ester O2-methyl ester IUPAC Name: 4-O,4-O'-ditert-butyl 2-O-methyl (2S,3S,5S)-5-cyclohexyl-3-phenylpyrrolidine-2,4,4-tricarboxylate Traditional Name: (2S,3S,5S)-5-cyclohexyl-3-phenyl-pyrrolidine-2,4,4-tricarboxylic acid O4,O4'-ditert-butyl ester O2-methyl ester Formula: C28H41NO6 MolecularWeight: 487.62824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(C(NC1C2CCCCC2)C(=O)OC)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1([C@@H]([C@H](N[C@H]1C2CCCCC2)C(=O)OC)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H41NO6/c1-26(2,3)34-24(31)28(25(32)35-27(4,5)6)20(18-14-10-8-11-15-18)21(23(30)33-7)29-22(28)19-16-12-9-13-17-19/h8,10-11,14-15,19-22,29H,9,12-13,16-17H2,1-7H3/t20-,21+,22+/m1/s1