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

Systemtic Name: 2-[[3-[[carboxymethyl(methyl)amino]methyl]-5-nonyl-2-oxidanyl-phenyl]methyl-methyl-amino]ethanoic acid Openeye Name: 2-[[3-[[carboxymethyl(methyl)amino]methyl]-2-hydroxy-5-nonyl-phenyl]methyl-methyl-amino]acetic acid CAS Name: 2-[[3-[[carboxymethyl(methyl)amino]methyl]-2-hydroxy-5-nonylphenyl]methyl-methylamino]acetic acid IUPAC Name: 2-[[3-[[carboxymethyl(methyl)amino]methyl]-2-hydroxy-5-nonylphenyl]methyl-methylamino]acetic acid Traditional Name: 2-[[3-[[carboxymethyl(methyl)amino]methyl]-2-hydroxy-5-nonyl-benzyl]-methyl-amino]acetic acid Formula: C23H38N2O5 MolecularWeight: 422.55822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C(=C1)CN(C)CC(=O)O)O)CN(C)CC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C(=C1)CN(C)CC(=O)O)O)CN(C)CC(=O)O

InChI

InChI=1S/C23H38N2O5/c1-4-5-6-7-8-9-10-11-18-12-19(14-24(2)16-21(26)27)23(30)20(13-18)15-25(3)17-22(28)29/h12-13,30H,4-11,14-17H2,1-3H3,(H,26,27)(H,28,29)