(phenylmethyl) (2S,6S)-2-methyl-6-[(E)-3-oxidanylidenehept-1-enyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,6S)-2-methyl-6-[(E)-3-oxidanylidenehept-1-enyl]piperidine-1-carboxylate Openeye Name: benzyl (2S,6S)-2-methyl-6-[(E)-3-oxohept-1-enyl]piperidine-1-carboxylate CAS Name: (2S,6S)-2-methyl-6-[(E)-3-oxohept-1-enyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,6S)-2-methyl-6-[(E)-3-oxohept-1-enyl]piperidine-1-carboxylate Traditional Name: (2S,6S)-2-[(E)-3-ketohept-1-enyl]-6-methyl-piperidine-1-carboxylic acid benzyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3/c1-3-4-13-20(23)15-14-19-12-8-9-17(2)22(19)21(24)25-16-18-10-6-5-7-11-18/h5-7,10-11,14-15,17,19H,3-4,8-9,12-13,16H2,1-2H3/b15-14+/t17-,19-/m0/s1