phenyl (2S,6R)-4-oxidanylidene-2-pent-4-enyl-6-(3-phenylmethoxypropyl)piperidine-1-carboxylate

Systemtic Name: phenyl (2S,6R)-4-oxidanylidene-2-pent-4-enyl-6-(3-phenylmethoxypropyl)piperidine-1-carboxylate Openeye Name: phenyl (2R,6S)-2-(3-benzyloxypropyl)-4-oxo-6-pent-4-enyl-piperidine-1-carboxylate CAS Name: (2S,6R)-4-oxo-2-pent-4-enyl-6-(3-phenylmethoxypropyl)-1-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl (2S,6R)-4-oxo-2-pent-4-enyl-6-(3-phenylmethoxypropyl)piperidine-1-carboxylate Traditional Name: (2R,6S)-2-(3-benzoxypropyl)-4-keto-6-pent-4-enyl-piperidine-1-carboxylic acid phenyl ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC1CC(=O)CC(N1C(=O)OC2=CC=CC=C2)CCCOCC3=CC=CC=C3

Isomeric SMILES

C=CCCC[C@H]1CC(=O)C[C@H](N1C(=O)OC2=CC=CC=C2)CCCOCC3=CC=CC=C3

InChI

InChI=1S/C27H33NO4/c1-2-3-6-14-23-19-25(29)20-24(15-11-18-31-21-22-12-7-4-8-13-22)28(23)27(30)32-26-16-9-5-10-17-26/h2,4-5,7-10,12-13,16-17,23-24H,1,3,6,11,14-15,18-21H2/t23-,24+/m0/s1