tert-butyl N-[(1R,2S)-1-(3-dodecylphenyl)-1,3-bis(oxidanyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(1R,2S)-1-(3-dodecylphenyl)-1,3-bis(oxidanyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-2-(3-dodecylphenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]carbamate CAS Name: N-[(1R,2S)-1-(3-dodecylphenyl)-1,3-dihydroxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R,2S)-1-(3-dodecylphenyl)-1,3-dihydroxypropan-2-yl]carbamate Traditional Name: N-[(1S,2R)-2-hydroxy-2-(3-laurylphenyl)-1-methylol-ethyl]carbamic acid tert-butyl ester Formula: C26H45NO4 MolecularWeight: 435.6398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC=C1)C(C(CO)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC=C1)[C@H]([C@H](CO)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C26H45NO4/c1-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)24(29)23(20-28)27-25(30)31-26(2,3)4/h15,17-19,23-24,28-29H,5-14,16,20H2,1-4H3,(H,27,30)/t23-,24+/m0/s1