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

Systemtic Name: tert-butyl (2S,5R)-5-nonyl-3-oxidanylidene-2-(phenylmethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,5R)-2-benzyl-5-nonyl-3-oxo-pyrrolidine-1-carboxylate CAS Name: (2S,5R)-5-nonyl-3-oxo-2-(phenylmethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-2-benzyl-5-nonyl-3-oxopyrrolidine-1-carboxylate Traditional Name: (2S,5R)-2-benzyl-3-keto-5-nonyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CC(=O)C(N1C(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO3/c1-5-6-7-8-9-10-14-17-21-19-23(27)22(18-20-15-12-11-13-16-20)26(21)24(28)29-25(2,3)4/h11-13,15-16,21-22H,5-10,14,17-19H2,1-4H3/t21-,22+/m1/s1