O1-tert-butyl O2-methyl (2S,4R)-4-(4-tert-butylphenyl)pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,4R)-4-(4-tert-butylphenyl)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,4R)-4-(4-tert-butylphenyl)pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4R)-4-(4-tert-butylphenyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4R)-4-(4-tert-butylphenyl)pyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4R)-4-(4-tert-butylphenyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC(N(C2)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C21H31NO4/c1-20(2,3)16-10-8-14(9-11-16)15-12-17(18(23)25-7)22(13-15)19(24)26-21(4,5)6/h8-11,15,17H,12-13H2,1-7H3/t15-,17-/m0/s1