2-[carboxymethyl-(3,5-didodecylphenyl)amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(3,5-didodecylphenyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3,5-didodecyl-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3,5-didodecylanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3,5-didodecylanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3,5-dilauryl-anilino]acetic acid Formula: C34H59NO4 MolecularWeight: 545.83656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)CCCCCCCCCCCC

InChI

InChI=1S/C34H59NO4/c1-3-5-7-9-11-13-15-17-19-21-23-30-25-31(24-22-20-18-16-14-12-10-8-6-4-2)27-32(26-30)35(28-33(36)37)29-34(38)39/h25-27H,3-24,28-29H2,1-2H3,(H,36,37)(H,38,39)