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

Systemtic Name: O1-tert-butyl O2-ethyl (2S,4R,5R)-5-butyl-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl (2S,4R,5R)-4-benzyl-5-butyl-pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4R,5R)-5-butyl-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2S,4R,5R)-4-benzyl-5-butylpyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4R,5R)-4-benzyl-5-butyl-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(CC(N1C(=O)OC(C)(C)C)C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCC[C@@H]1[C@@H](C[C@H](N1C(=O)OC(C)(C)C)C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C23H35NO4/c1-6-8-14-19-18(15-17-12-10-9-11-13-17)16-20(21(25)27-7-2)24(19)22(26)28-23(3,4)5/h9-13,18-20H,6-8,14-16H2,1-5H3/t18-,19-,20+/m1/s1