[(2S)-octan-2-yl] (2S,4S,5R)-5-butyl-4-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: [(2S)-octan-2-yl] (2S,4S,5R)-5-butyl-4-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: [(1S)-1-methylheptyl] (2S,4S,5R)-4-benzyl-5-butyl-pyrrolidine-2-carboxylate CAS Name: (2S,4S,5R)-5-butyl-4-(phenylmethyl)-2-pyrrolidinecarboxylic acid [(2S)-octan-2-yl] ester IUPAC Name: [(2S)-octan-2-yl] (2S,4S,5R)-4-benzyl-5-butylpyrrolidine-2-carboxylate Traditional Name: (2S,4S,5R)-4-benzyl-5-butyl-pyrrolidine-2-carboxylic acid [(1S)-1-methylheptyl] ester Formula: C24H39NO2 MolecularWeight: 373.57196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1CC(C(N1)CCCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@H](C)OC(=O)[C@@H]1C[C@@H]([C@H](N1)CCCC)CC2=CC=CC=C2

InChI

InChI=1S/C24H39NO2/c1-4-6-8-10-13-19(3)27-24(26)23-18-21(22(25-23)16-7-5-2)17-20-14-11-9-12-15-20/h9,11-12,14-15,19,21-23,25H,4-8,10,13,16-18H2,1-3H3/t19-,21-,22+,23-/m0/s1