phenyl (2R,3S)-2-(4-chloranylbutyl)-3-(hydroxymethyl)piperidine-1-carboxylate

Systemtic Name: phenyl (2R,3S)-2-(4-chloranylbutyl)-3-(hydroxymethyl)piperidine-1-carboxylate Openeye Name: phenyl (2R,3S)-2-(4-chlorobutyl)-3-(hydroxymethyl)piperidine-1-carboxylate CAS Name: (2R,3S)-2-(4-chlorobutyl)-3-(hydroxymethyl)-1-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl (2R,3S)-2-(4-chlorobutyl)-3-(hydroxymethyl)piperidine-1-carboxylate Traditional Name: (2R,3S)-2-(4-chlorobutyl)-3-methylol-piperidine-1-carboxylic acid phenyl ester Formula: C17H24ClNO3 MolecularWeight: 325.83036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)OC2=CC=CC=C2)CCCCCl)CO

Isomeric SMILES

C1C[C@@H]([C@H](N(C1)C(=O)OC2=CC=CC=C2)CCCCCl)CO

InChI

InChI=1S/C17H24ClNO3/c18-11-5-4-10-16-14(13-20)7-6-12-19(16)17(21)22-15-8-2-1-3-9-15/h1-3,8-9,14,16,20H,4-7,10-13H2/t14-,16-/m1/s1