3-azanyl-4-[methyl(octadecyl)amino]benzoic acid

Systemtic Name: 3-azanyl-4-[methyl(octadecyl)amino]benzoic acid Openeye Name: 3-amino-4-[methyl(octadecyl)amino]benzoic acid CAS Name: 3-amino-4-[methyl(octadecyl)amino]benzoic acid IUPAC Name: 3-amino-4-[methyl(octadecyl)amino]benzoic acid Traditional Name: 3-amino-4-[methyl(stearyl)amino]benzoic acid Formula: C26H46N2O2 MolecularWeight: 418.65564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)N

InChI

InChI=1S/C26H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28(2)25-20-19-23(26(29)30)22-24(25)27/h19-20,22H,3-18,21,27H2,1-2H3,(H,29,30)