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

Systemtic Name: 2-[(3-azanyl-5-octadecoxy-phenyl)-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[3-amino-N-(carboxymethyl)-5-octadecoxy-anilino]acetic acid CAS Name: 2-[3-amino-N-(carboxymethyl)-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[3-amino-N-(carboxymethyl)-5-octadecoxyanilino]acetic acid Traditional Name: 2-[3-amino-N-(carboxymethyl)-5-stearyloxy-anilino]acetic acid Formula: C28H48N2O5 MolecularWeight: 492.69112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-26-20-24(29)19-25(21-26)30(22-27(31)32)23-28(33)34/h19-21H,2-18,22-23,29H2,1H3,(H,31,32)(H,33,34)