(phenylmethyl) N-[2-(hydroxymethyl)-4-(4-octylphenyl)-1-oxidanyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(hydroxymethyl)-4-(4-octylphenyl)-1-oxidanyl-butan-2-yl]carbamate Openeye Name: benzyl N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl]carbamate CAS Name: N-[1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]carbamate Traditional Name: N-[1,1-dimethylol-3-(4-octylphenyl)propyl]carbamic acid benzyl ester Formula: C27H39NO4 MolecularWeight: 441.60286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H39NO4/c1-2-3-4-5-6-8-11-23-14-16-24(17-15-23)18-19-27(21-29,22-30)28-26(31)32-20-25-12-9-7-10-13-25/h7,9-10,12-17,29-30H,2-6,8,11,18-22H2,1H3,(H,28,31)