(phenylmethyl) N-[(4S,5S)-5-oxidanyltridecan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(4S,5S)-5-oxidanyltridecan-4-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-2-hydroxy-1-propyl-decyl]carbamate CAS Name: N-[(4S,5S)-5-hydroxytridecan-4-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S,5S)-5-hydroxytridecan-4-yl]carbamate Traditional Name: N-[(1S,2S)-2-hydroxy-1-propyl-decyl]carbamic acid benzyl ester Formula: C21H35NO3 MolecularWeight: 349.5075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO3/c1-3-5-6-7-8-12-16-20(23)19(13-4-2)22-21(24)25-17-18-14-10-9-11-15-18/h9-11,14-15,19-20,23H,3-8,12-13,16-17H2,1-2H3,(H,22,24)/t19-,20-/m0/s1