(phenylmethyl) (2R,3S,6S)-3-butyl-2-[3-(methoxymethoxy)propyl]-6-prop-2-enyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,3S,6S)-3-butyl-2-[3-(methoxymethoxy)propyl]-6-prop-2-enyl-piperidine-1-carboxylate Openeye Name: benzyl (2R,3S,6S)-6-allyl-3-butyl-2-[3-(methoxymethoxy)propyl]piperidine-1-carboxylate CAS Name: (2R,3S,6S)-3-butyl-2-[3-(methoxymethoxy)propyl]-6-prop-2-enyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3S,6S)-3-butyl-2-[3-(methoxymethoxy)propyl]-6-prop-2-enylpiperidine-1-carboxylate Traditional Name: (2R,3S,6S)-6-allyl-3-butyl-2-[3-(methoxymethoxy)propyl]piperidine-1-carboxylic acid benzyl ester Formula: C25H39NO4 MolecularWeight: 417.58146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N(C1CCCOCOC)C(=O)OCC2=CC=CC=C2)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO4/c1-4-6-14-22-16-17-23(11-5-2)26(24(22)15-10-18-29-20-28-3)25(27)30-19-21-12-8-7-9-13-21/h5,7-9,12-13,22-24H,2,4,6,10-11,14-20H2,1,3H3/t22-,23+,24+/m0/s1