(phenylmethyl) (2S,5S)-2-butyl-5-(1-oxidanylprop-2-enyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,5S)-2-butyl-5-(1-oxidanylprop-2-enyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,5S)-2-butyl-5-(1-hydroxyallyl)pyrrolidine-1-carboxylate CAS Name: (2S,5S)-2-butyl-5-(1-hydroxyprop-2-enyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,5S)-2-butyl-5-(1-hydroxyprop-2-enyl)pyrrolidine-1-carboxylate Traditional Name: (2S,5S)-2-butyl-5-(1-hydroxyallyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)C(C=C)O

Isomeric SMILES

CCCC[C@H]1CC[C@H](N1C(=O)OCC2=CC=CC=C2)C(C=C)O

InChI

InChI=1S/C19H27NO3/c1-3-5-11-16-12-13-17(18(21)4-2)20(16)19(22)23-14-15-9-7-6-8-10-15/h4,6-10,16-18,21H,2-3,5,11-14H2,1H3/t16-,17-,18?/m0/s1