tert-butyl N-[(2S,3R)-15-methyl-1-oxidanyl-3-phenylmethoxy-hexadecan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-15-methyl-1-oxidanyl-3-phenylmethoxy-hexadecan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-2-benzyloxy-1-(hydroxymethyl)-14-methyl-pentadecyl]carbamate CAS Name: N-[(2S,3R)-1-hydroxy-15-methyl-3-phenylmethoxyhexadecan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-1-hydroxy-15-methyl-3-phenylmethoxyhexadecan-2-yl]carbamate Traditional Name: N-[(1S,2R)-2-benzoxy-14-methyl-1-methylol-pentadecyl]carbamic acid tert-butyl ester Formula: C29H51NO4 MolecularWeight: 477.71954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(C(CO)NC(=O)OC(C)(C)C)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@H]([C@H](CO)NC(=O)OC(C)(C)C)OCC1=CC=CC=C1

InChI

InChI=1S/C29H51NO4/c1-24(2)18-14-11-9-7-6-8-10-12-17-21-27(33-23-25-19-15-13-16-20-25)26(22-31)30-28(32)34-29(3,4)5/h13,15-16,19-20,24,26-27,31H,6-12,14,17-18,21-23H2,1-5H3,(H,30,32)/t26-,27+/m0/s1