N-[2-(hydroxymethyl)-4-(4-octylphenyl)-1,4-bis(oxidanyl)butan-2-yl]ethanamide

Systemtic Name: N-[2-(hydroxymethyl)-4-(4-octylphenyl)-1,4-bis(oxidanyl)butan-2-yl]ethanamide Openeye Name: N-[3-hydroxy-1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl]acetamide CAS Name: N-[1,4-dihydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]acetamide IUPAC Name: N-[1,4-dihydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]acetamide Traditional Name: N-[3-hydroxy-1,1-dimethylol-3-(4-octylphenyl)propyl]acetamide Formula: C21H35NO4 MolecularWeight: 365.5069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(CC(CO)(CO)NC(=O)C)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(CC(CO)(CO)NC(=O)C)O

InChI

InChI=1S/C21H35NO4/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20(26)14-21(15-23,16-24)22-17(2)25/h10-13,20,23-24,26H,3-9,14-16H2,1-2H3,(H,22,25)