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

Systemtic Name: 2-[carboxymethyl-(3-octadecoxy-5-oxidanyl-phenyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-hydroxy-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-hydroxy-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-hydroxy-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-hydroxy-5-stearyloxy-anilino]acetic acid Formula: C28H47NO6 MolecularWeight: 493.67588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-26-20-24(19-25(30)21-26)29(22-27(31)32)23-28(33)34/h19-21,30H,2-18,22-23H2,1H3,(H,31,32)(H,33,34)