2-[carboxymethyl-(3-methylsulfanyl-5-octadecoxy-phenyl)amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(3-methylsulfanyl-5-octadecoxy-phenyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-methylsulfanyl-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-(methylthio)-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-methylsulfanyl-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-(methylthio)-5-stearyloxy-anilino]acetic acid Formula: C29H49NO5S MolecularWeight: 523.76806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)SC

InChI

InChI=1S/C29H49NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35-26-20-25(21-27(22-26)36-2)30(23-28(31)32)24-29(33)34/h20-22H,3-19,23-24H2,1-2H3,(H,31,32)(H,33,34)