2-[(octylamino)methyl]-2-phenoxy-butanoic acid

Systemtic Name: 2-[(octylamino)methyl]-2-phenoxy-butanoic acid Openeye Name: 2-[(octylamino)methyl]-2-phenoxy-butanoic acid CAS Name: 2-[(octylamino)methyl]-2-phenoxybutanoic acid IUPAC Name: 2-[(octylamino)methyl]-2-phenoxybutanoic acid Traditional Name: 2-[(octylamino)methyl]-2-phenoxy-butyric acid Formula: C19H31NO3 MolecularWeight: 321.45434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(CC)(C(=O)O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCNCC(CC)(C(=O)O)OC1=CC=CC=C1

InChI

InChI=1S/C19H31NO3/c1-3-5-6-7-8-12-15-20-16-19(4-2,18(21)22)23-17-13-10-9-11-14-17/h9-11,13-14,20H,3-8,12,15-16H2,1-2H3,(H,21,22)