3-azanyl-4-(nonadecan-2-ylamino)benzoic acid

Systemtic Name: 3-azanyl-4-(nonadecan-2-ylamino)benzoic acid Openeye Name: 3-amino-4-(1-methyloctadecylamino)benzoic acid CAS Name: 3-amino-4-(nonadecan-2-ylamino)benzoic acid IUPAC Name: 3-amino-4-(nonadecan-2-ylamino)benzoic acid Traditional Name: 3-amino-4-(1-methyloctadecylamino)benzoic acid Formula: C26H46N2O2 MolecularWeight: 418.65564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=C(C=C1)C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=C(C=C1)C(=O)O)N

InChI

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