O1-tert-butyl O2-ethyl (2S,4S,5S)-5-phenyl-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl (2S,4S,5S)-5-phenyl-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl (2S,4S,5S)-4-benzyl-5-phenyl-pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4S,5S)-5-phenyl-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2S,4S,5S)-4-benzyl-5-phenylpyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4S,5S)-4-benzyl-5-phenyl-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(N1C(=O)OC(C)(C)C)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@@H]([C@H](N1C(=O)OC(C)(C)C)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H31NO4/c1-5-29-23(27)21-17-20(16-18-12-8-6-9-13-18)22(19-14-10-7-11-15-19)26(21)24(28)30-25(2,3)4/h6-15,20-22H,5,16-17H2,1-4H3/t20-,21-,22+/m0/s1