[(3R)-4,4-dimethyl-1-phenyl-hex-5-en-3-yl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: [(3R)-4,4-dimethyl-1-phenyl-hex-5-en-3-yl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: [(1R)-2,2-dimethyl-1-phenethyl-but-3-enyl] (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid [(3R)-4,4-dimethyl-1-phenylhex-5-en-3-yl] ester IUPAC Name: [(3R)-4,4-dimethyl-1-phenylhex-5-en-3-yl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid [(1R)-2,2-dimethyl-1-phenethyl-but-3-enyl] ester Formula: C27H39NO4 MolecularWeight: 441.60286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC=CC=C2)C(C)(C)C=C

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC2=CC=CC=C2)C(C)(C)C=C

InChI

InChI=1S/C27H39NO4/c1-7-26(3,4)22(18-17-20-14-10-9-11-15-20)32-25(31)21-16-12-13-19-28(21)24(30)23(29)27(5,6)8-2/h7,9-11,14-15,21-22H,1,8,12-13,16-19H2,2-6H3/t21-,22+/m0/s1