methyl (2S,3R)-3-but-3-enyl-1-(phenylmethyl)piperidine-2-carboxylate

Systemtic Name: methyl (2S,3R)-3-but-3-enyl-1-(phenylmethyl)piperidine-2-carboxylate Openeye Name: methyl (2S,3R)-1-benzyl-3-but-3-enyl-piperidine-2-carboxylate CAS Name: (2S,3R)-3-but-3-enyl-1-(phenylmethyl)-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-1-benzyl-3-but-3-enylpiperidine-2-carboxylate Traditional Name: (2S,3R)-1-benzyl-3-but-3-enyl-pipecolinic acid methyl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CCCN1CC2=CC=CC=C2)CCC=C

Isomeric SMILES

COC(=O)[C@@H]1[C@@H](CCCN1CC2=CC=CC=C2)CCC=C

InChI

InChI=1S/C18H25NO2/c1-3-4-11-16-12-8-13-19(17(16)18(20)21-2)14-15-9-6-5-7-10-15/h3,5-7,9-10,16-17H,1,4,8,11-14H2,2H3/t16-,17+/m1/s1