methyl (2S)-1-[[2-(hydroxymethyl)phenoxy]-octyl-phosphoryl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[[2-(hydroxymethyl)phenoxy]-octyl-phosphoryl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[[2-(hydroxymethyl)phenoxy]-octyl-phosphoryl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-(hydroxymethyl)phenoxy]-octylphosphoryl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[2-(hydroxymethyl)phenoxy]-octylphosphoryl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2-methylolphenoxy)-octyl-phosphoryl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H34NO5P MolecularWeight: 411.472121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCP(=O)(N1CCCC1C(=O)OC)OC2=CC=CC=C2CO

Isomeric SMILES

CCCCCCCC[P@](=O)(N1CCC[C@H]1C(=O)OC)OC2=CC=CC=C2CO

InChI

InChI=1S/C21H34NO5P/c1-3-4-5-6-7-10-16-28(25,22-15-11-13-19(22)21(24)26-2)27-20-14-9-8-12-18(20)17-23/h8-9,12,14,19,23H,3-7,10-11,13,15-17H2,1-2H3/t19-,28+/m0/s1