2-azanyl-2-(hydroxymethyl)-3-(6-octyl-1H-benzimidazol-2-yl)propanoic acid

Systemtic Name: 2-azanyl-2-(hydroxymethyl)-3-(6-octyl-1H-benzimidazol-2-yl)propanoic acid Openeye Name: 2-amino-2-(hydroxymethyl)-3-(6-octyl-1H-benzimidazol-2-yl)propanoic acid CAS Name: 2-amino-2-(hydroxymethyl)-3-(6-octyl-1H-benzimidazol-2-yl)propanoic acid IUPAC Name: 2-amino-2-(hydroxymethyl)-3-(6-octyl-1H-benzimidazol-2-yl)propanoic acid Traditional Name: 2-amino-2-methylol-3-(6-octyl-1H-benzimidazol-2-yl)propionic acid Formula: C19H29N3O3 MolecularWeight: 347.45186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)N=C(N2)CC(CO)(C(=O)O)N

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)N=C(N2)CC(CO)(C(=O)O)N

InChI

InChI=1S/C19H29N3O3/c1-2-3-4-5-6-7-8-14-9-10-15-16(11-14)22-17(21-15)12-19(20,13-23)18(24)25/h9-11,23H,2-8,12-13,20H2,1H3,(H,21,22)(H,24,25)