(phenylmethyl) N-[(4S,5S)-2-methyl-5-oxidanyl-tridecan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(4S,5S)-2-methyl-5-oxidanyl-tridecan-4-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-2-hydroxy-1-isobutyl-decyl]carbamate CAS Name: N-[(4S,5S)-5-hydroxy-2-methyltridecan-4-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S,5S)-5-hydroxy-2-methyltridecan-4-yl]carbamate Traditional Name: N-[(1S,2S)-2-hydroxy-1-isobutyl-decyl]carbamic acid benzyl ester Formula: C22H37NO3 MolecularWeight: 363.53408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CC(C)C)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCC[C@@H]([C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C22H37NO3/c1-4-5-6-7-8-12-15-21(24)20(16-18(2)3)23-22(25)26-17-19-13-10-9-11-14-19/h9-11,13-14,18,20-21,24H,4-8,12,15-17H2,1-3H3,(H,23,25)/t20-,21-/m0/s1