[(E)-3-phenylprop-2-enyl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: [(E)-3-phenylprop-2-enyl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: [(E)-cinnamyl] (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid [(E)-cinnamyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCC=CC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H29NO4/c1-4-22(2,3)19(24)20(25)23-15-9-8-14-18(23)21(26)27-16-10-13-17-11-6-5-7-12-17/h5-7,10-13,18H,4,8-9,14-16H2,1-3H3/b13-10+/t18-/m0/s1