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

Systemtic Name: (phenylmethyl) N-[(4S,5S)-2-methyl-5-oxidanyl-undecan-4-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-2-hydroxy-1-isobutyl-octyl]carbamate CAS Name: N-[(4S,5S)-5-hydroxy-2-methylundecan-4-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S,5S)-5-hydroxy-2-methylundecan-4-yl]carbamate Traditional Name: N-[(1S,2S)-2-hydroxy-1-isobutyl-octyl]carbamic acid benzyl ester Formula: C20H33NO3 MolecularWeight: 335.48092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO3/c1-4-5-6-10-13-19(22)18(14-16(2)3)21-20(23)24-15-17-11-8-7-9-12-17/h7-9,11-12,16,18-19,22H,4-6,10,13-15H2,1-3H3,(H,21,23)/t18-,19-/m0/s1