tert-butyl (2S,3R,4S)-2-nonyl-5-oxidanylidene-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R,4S)-2-nonyl-5-oxidanylidene-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3R,4S)-3,4-dibenzyloxy-2-nonyl-5-oxo-pyrrolidine-1-carboxylate CAS Name: (2S,3R,4S)-2-nonyl-5-oxo-3,4-bis(phenylmethoxy)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R,4S)-2-nonyl-5-oxo-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate Traditional Name: (3S,4R,5S)-3,4-dibenzoxy-2-keto-5-nonyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C32H45NO5 MolecularWeight: 523.7034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1C(C(C(=O)N1C(=O)OC(C)(C)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC[C@H]1[C@H]([C@@H](C(=O)N1C(=O)OC(C)(C)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C32H45NO5/c1-5-6-7-8-9-10-17-22-27-28(36-23-25-18-13-11-14-19-25)29(37-24-26-20-15-12-16-21-26)30(34)33(27)31(35)38-32(2,3)4/h11-16,18-21,27-29H,5-10,17,22-24H2,1-4H3/t27-,28+,29-/m0/s1