(phenylmethyl) (2S,6S)-2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-propyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,6S)-2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-propyl-piperidine-1-carboxylate Openeye Name: benzyl (2S,6S)-2-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-6-propyl-piperidine-1-carboxylate CAS Name: (2S,6S)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-propyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,6S)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-propylpiperidine-1-carboxylate Traditional Name: (2S,6S)-2-[(E)-3-ethoxy-3-keto-prop-1-enyl]-6-propyl-piperidine-1-carboxylic acid benzyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(N1C(=O)OCC2=CC=CC=C2)C=CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/c1-3-9-18-12-8-13-19(14-15-20(23)25-4-2)22(18)21(24)26-16-17-10-6-5-7-11-17/h5-7,10-11,14-15,18-19H,3-4,8-9,12-13,16H2,1-2H3/b15-14+/t18-,19-/m0/s1