3-azanyl-3-(hydroxymethyl)-1-(4-octylphenyl)butane-1,4-diol

Systemtic Name: 3-azanyl-3-(hydroxymethyl)-1-(4-octylphenyl)butane-1,4-diol Openeye Name: 3-amino-3-(hydroxymethyl)-1-(4-octylphenyl)butane-1,4-diol CAS Name: 3-amino-3-(hydroxymethyl)-1-(4-octylphenyl)butane-1,4-diol IUPAC Name: 3-amino-3-(hydroxymethyl)-1-(4-octylphenyl)butane-1,4-diol Traditional Name: 3-amino-3-methylol-1-(4-octylphenyl)butane-1,4-diol Formula: C19H33NO3 MolecularWeight: 323.47022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33NO3/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18(23)13-19(20,14-21)15-22/h9-12,18,21-23H,2-8,13-15,20H2,1H3