tert-butyl (2S)-2-[[(1R,4R,5R)-4,6,6-trimethyl-4-oxidanyl-3-bicyclo[3.1.1]heptanylidene]amino]tetradecanoate

Systemtic Name: tert-butyl (2S)-2-[[(1R,4R,5R)-4,6,6-trimethyl-4-oxidanyl-3-bicyclo[3.1.1]heptanylidene]amino]tetradecanoate Openeye Name: tert-butyl (2S)-2-[[(1R,2R,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-ylidene]amino]tetradecanoate CAS Name: (2S)-2-[[(1R,4R,5R)-4-hydroxy-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]tetradecanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(1R,4R,5R)-4-hydroxy-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]tetradecanoate Traditional Name: (2S)-2-[[(1R,2R,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-ylidene]amino]myristic acid tert-butyl ester Formula: C28H51NO3 MolecularWeight: 449.70944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)OC(C)(C)C)N=C1CC2CC(C2(C)C)C1(C)O

Isomeric SMILES

CCCCCCCCCCCC[C@@H](C(=O)OC(C)(C)C)N=C1C[C@H]2C[C@@H]([C@@]1(C)O)C2(C)C

InChI

InChI=1S/C28H51NO3/c1-8-9-10-11-12-13-14-15-16-17-18-22(25(30)32-26(2,3)4)29-24-20-21-19-23(27(21,5)6)28(24,7)31/h21-23,31H,8-20H2,1-7H3/t21-,22+,23-,28-/m1/s1