O1-tert-butyl O2-[(5S)-11-phenylmethoxyundecan-5-yl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[(5S)-11-phenylmethoxyundecan-5-yl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O2-[(1S)-7-benzyloxy-1-butyl-heptyl] O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[(5S)-11-phenylmethoxyundecan-5-yl] ester IUPAC Name: 1-O-tert-butyl 2-O-[(5S)-11-phenylmethoxyundecan-5-yl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O2-[(1S)-7-benzoxy-1-butyl-heptyl] ester O1-tert-butyl ester Formula: C28H45NO5 MolecularWeight: 475.6606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCOCC1=CC=CC=C1)OC(=O)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[C@@H](CCCCCCOCC1=CC=CC=C1)OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C28H45NO5/c1-5-6-17-24(18-12-7-8-13-21-32-22-23-15-10-9-11-16-23)33-26(30)25-19-14-20-29(25)27(31)34-28(2,3)4/h9-11,15-16,24-25H,5-8,12-14,17-22H2,1-4H3/t24-,25-/m0/s1