methyl (2S,3S,5R)-5-nonyl-3-oxidanyl-2-(phenylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: methyl (2S,3S,5R)-5-nonyl-3-oxidanyl-2-(phenylmethyl)pyrrolidine-1-carboxylate Openeye Name: methyl (2S,3S,5R)-2-benzyl-3-hydroxy-5-nonyl-pyrrolidine-1-carboxylate CAS Name: (2S,3S,5R)-3-hydroxy-5-nonyl-2-(phenylmethyl)-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,5R)-2-benzyl-3-hydroxy-5-nonylpyrrolidine-1-carboxylate Traditional Name: (2S,3S,5R)-2-benzyl-3-hydroxy-5-nonyl-pyrrolidine-1-carboxylic acid methyl ester Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO3/c1-3-4-5-6-7-8-12-15-19-17-21(24)20(23(19)22(25)26-2)16-18-13-10-9-11-14-18/h9-11,13-14,19-21,24H,3-8,12,15-17H2,1-2H3/t19-,20+,21+/m1/s1