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

Systemtic Name: 2-[(3-acetyloxy-5-octadecoxy-phenyl)-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[3-acetoxy-N-(carboxymethyl)-5-octadecoxy-anilino]acetic acid CAS Name: 2-[3-acetyloxy-N-(carboxymethyl)-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[3-acetyloxy-N-(carboxymethyl)-5-octadecoxyanilino]acetic acid Traditional Name: 2-[3-acetoxy-N-(carboxymethyl)-5-stearyloxy-anilino]acetic acid Formula: C30H49NO7 MolecularWeight: 535.71256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-37-27-20-26(21-28(22-27)38-25(2)32)31(23-29(33)34)24-30(35)36/h20-22H,3-19,23-24H2,1-2H3,(H,33,34)(H,35,36)