(phenylmethyl) (2S,6R)-2-(2-methylpropyl)-6-prop-1-ynyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,6R)-2-(2-methylpropyl)-6-prop-1-ynyl-piperidine-1-carboxylate Openeye Name: benzyl (2S,6R)-2-isobutyl-6-prop-1-ynyl-piperidine-1-carboxylate CAS Name: (2S,6R)-2-(2-methylpropyl)-6-prop-1-ynyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,6R)-2-(2-methylpropyl)-6-prop-1-ynylpiperidine-1-carboxylate Traditional Name: (2S,6R)-2-isobutyl-6-prop-1-ynyl-piperidine-1-carboxylic acid benzyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1CCCC(N1C(=O)OCC2=CC=CC=C2)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-4-9-18-12-8-13-19(14-16(2)3)21(18)20(22)23-15-17-10-6-5-7-11-17/h5-7,10-11,16,18-19H,8,12-15H2,1-3H3/t18-,19-/m0/s1