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

Systemtic Name: 2-[(3-acetamido-5-octadecoxy-phenyl)-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[3-acetamido-N-(carboxymethyl)-5-octadecoxy-anilino]acetic acid CAS Name: 2-[3-acetamido-N-(carboxymethyl)-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[3-acetamido-N-(carboxymethyl)-5-octadecoxyanilino]acetic acid Traditional Name: 2-[3-acetamido-N-(carboxymethyl)-5-stearyloxy-anilino]acetic acid Formula: C30H50N2O6 MolecularWeight: 534.7278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-38-28-21-26(31-25(2)33)20-27(22-28)32(23-29(34)35)24-30(36)37/h20-22H,3-19,23-24H2,1-2H3,(H,31,33)(H,34,35)(H,36,37)