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

Systemtic Name: 3-azanyl-1-(4-heptylphenyl)-3-(hydroxymethyl)butane-1,4-diol Openeye Name: 3-amino-1-(4-heptylphenyl)-3-(hydroxymethyl)butane-1,4-diol CAS Name: 3-amino-1-(4-heptylphenyl)-3-(hydroxymethyl)butane-1,4-diol IUPAC Name: 3-amino-1-(4-heptylphenyl)-3-(hydroxymethyl)butane-1,4-diol Traditional Name: 3-amino-1-(4-heptylphenyl)-3-methylol-butane-1,4-diol Formula: C18H31NO3 MolecularWeight: 309.44364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(CC(CO)(CO)N)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(CC(CO)(CO)N)O

InChI

InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)17(22)12-18(19,13-20)14-21/h8-11,17,20-22H,2-7,12-14,19H2,1H3